A0A024R8E7_HUMAN Loading...

uridine/cytidine kinase

AlphaFold DB , UniProt , Accession A0A024R8E7, Species HUMAN (Homo sapiens, Human), Gene UCK1, Length 201 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.7	Very low	42.2	Very low	253 Å²	253	136 Å²	136	100%	1.246	86%	0.861	S	S	*	*				0	102.9	0	-86	172.2	142.2	0	0	108.3
2	A	40.3	Very low	42.5	Very low	106 Å²	106	135.3 Å²	135.3	88%	0.876	86%	0.858	S	S	*	*			trans	-163.4	105.1	157.7	0	0	0	0	0	105.7
3	S	38.3	Very low	42.6	Very low	125 Å²	125	131.6 Å²	131.6	87%	0.874	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-86.9	125.2	175.9	167.9	0	0	0	0	107.5
4	A	43.5	Very low	42.9	Very low	99 Å²	99	130.4 Å²	130.4	82%	0.818	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-78.6	116.8	169.5	0	0	0	0	0	108.2
5	G	38.1	Very low	43.6	Very low	70 Å²	70	131.9 Å²	131.9	72%	0.722	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-77.2	131.4	169.8	0	0	0	0	0	109.7
6	G	39.4	Very low	43.9	Very low	71 Å²	71	128.9 Å²	128.9	73%	0.732	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-69.9	140.9	175.8	0	0	0	0	0	111.6	D8	G6-D8 PolarHBondContact O-N 3.37Å
7	E	44.9	Very low	44.2	Very low	198 Å²	198	129.6 Å²	129.6	93%	0.925	82%	0.819	S	S	*	*			trans	-83.2	101.7	164.3	-68.6	171.8	107.7	0	0	107.1	C9	E7-C9 PolarHBondContact O-N 3.46Å
8	D	42.9	Very low	44.7	Very low	160 Å²	160	130.3 Å²	130.3	86%	0.856	80%	0.803	S	S	*	*			trans	-72.2	108.4	171.8	-74.4	-39.5	0	0	0	108.7	G6 E10	G6-D8 PolarHBondContact O-N 3.37Å; D8-E10 PolarHBondContact O-N 3.38Å
9	C	42.1	Very low	45	Very low	124 Å²	124	128.9 Å²	128.9	84%	0.838	80%	0.796	S	S	*	*			trans	-61.2	101.5	166.8	-113.1	0	0	0	0	108.8	E7 S11	E7-C9 PolarHBondContact O-N 3.46Å; C9-S11 PolarHBondContact O-N 2.78Å
10	E	42	Very low	45.6	Very low	193 Å²	193	129.2 Å²	129.2	90%	0.902	79%	0.788	S	S	*	*			trans	-69	97.6	175.5	-160.3	146.5	167.2	0	0	109.2	D8	D8-E10 PolarHBondContact O-N 3.38Å
11	S	47.6	Very low	46.8	Very low	97 Å²	97	130.6 Å²	130.6	68%	0.678	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-61.8	136.3	171.4	-57.3	0	0	0	0	108.7	C9 A13	C9-S11 PolarHBondContact O-N 2.78Å; S11-A13 PolarHBondContact O-N 3.14Å; S11-A13 VanDerWaalsContact O-N 3.15Å
12	P	45.5	Very low	48.8	Very low	128 Å²	128	127.3 Å²	127.3	83%	0.831	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-59.8	125.7	177.2	24	-31	0	0	0	108.9
13	A	43.6	Very low	51.4	Low	87 Å²	87	122.4 Å²	122.4	72%	0.719	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-52.9	144.3	178.6	0	0	0	0	0	110.6	S11 E15	S11-A13 PolarHBondContact O-N 3.14Å; S11-A13 VanDerWaalsContact O-N 3.15Å; A13-E15 PolarHBondContact O-N 2.89Å
14	P	46.3	Very low	54.2	Low	115 Å²	115	121.1 Å²	121.1	75%	0.747	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-58.3	133.5	174.2	25.9	-32.2	0	0	0	108.4	A16	P14-A16 PolarHBondContact O-N 2.87Å
15	E	54.1	Low	56.8	Low	153 Å²	153	116.4 Å²	116.4	72%	0.715	66%	0.658	S	S	*	*			trans	-67.7	72.4	-177.8	-158.1	173.2	-167.5	0	0	110	A13 R18	A13-E15 PolarHBondContact O-N 2.89Å; E15-R18 IonicContact OE1-CZ 3.38Å; E15-R18 IonicContact OE1-NE 2.67Å; E15-R18 IonicContact OE1-NH2 3.55Å; E15-R18 PolarHBondContact OE1-NH2 3.4Å
16	A	48.1	Very low	59.6	Low	83 Å²	83	114.1 Å²	114.1	69%	0.686	63%	0.629	S	S	*	*			trans	-83.8	120.2	-177.6	0	0	0	0	0	110.2	P14	P14-A16 PolarHBondContact O-N 2.87Å
17	D	48.6	Very low	62.5	Low	141 Å²	141	110.8 Å²	110.8	75%	0.754	60%	0.595	S	S	*	*			trans	53.9	67.5	150.6	-143.4	16.5	0	0	0	115.8
18	R	52.9	Low	65	Low	142 Å²	142	101.3 Å²	101.3	54%	0.536	55%	0.55	S	S	.	*			trans	-65.2	127.6	158.1	-59	-178.2	-161.7	-140.1	-0.5	106.7	E15 H20	E15-R18 IonicContact OE1-CZ 3.38Å; E15-R18 IonicContact OE1-NE 2.67Å; E15-R18 IonicContact OE1-NH2 3.55Å; E15-R18 PolarHBondContact OE1-NH2 3.4Å; R18-H20 PolarHBondContact O-N 3.16Å
19	P	50.3	Low	67.6	Low	104 Å²	104	93.9 Å²	93.9	68%	0.675	51%	0.511	S	S	*	.			trans	-53.5	122.3	174.1	21.5	-31	0	0	0	108.1	Q21	P19-Q21 VanDerWaalsContact C-N 3.29Å; P19-Q21 PolarHBondContact O-N 2.93Å
20	H	58.1	Low	70.2	Confident	135 Å²	135	88 Å²	88	63%	0.625	47%	0.472	S	S	*	.			trans	-59.3	94.6	-177.5	-72.4	-59.5	0	0	0	109.1	R18	R18-H20 PolarHBondContact O-N 3.16Å
21	Q	70.7	Confident	72.5	Confident	158 Å²	158	79.6 Å²	79.6	74%	0.738	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-68.2	141.2	173.1	-68.8	-132.4	-3.4	0	0	107.8	P19	P19-Q21 VanDerWaalsContact C-N 3.29Å; P19-Q21 PolarHBondContact O-N 2.93Å
22	R	86.9	Confident	74.6	Confident	185 Å²	185	76.9 Å²	76.9	70%	0.698	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-54.6	125.2	177.8	-146.4	-178.7	-176.8	-162.7	-2.5	108.4	V105	R22-V105 HydrophobicContact CG-CG1 4.02Å; R22-V105 VanDerWaalsContact CG-O 3.23Å; R22-V105 WeakPolarHBondContact CG-O 3.49Å; R22-V105 VanDerWaalsContact NE-CG1 3.26Å
23	P	95.6	Very high	76.7	Confident	3 Å²	3	71.5 Å²	71.5	2%	0.019	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-62.8	144.7	-174.1	24.3	-34.7	0	0	0	111.5	L25 I104 V105 A132 D133 V135 H153	P23-L25 PolarHBondContact O-N 2.83Å; P23-L25 VanDerWaalsContact O-N 3.11Å; P23-I104 HydrophobicContact CG-CG2 4.27Å; P23-I104 WeakPolarHBondContact CG-O 3.34Å; P23-V105 WeakPolarHBondContact CD-O 3.49Å; P23-A132 WeakPolarHBondContact CB-O 3.38Å; P23-D133 WeakPolarHBondContact CA-O 3.44Å; P23-V135 HydrophobicContact CB-CG2 4.01Å; P23-H153 PolarHBondContact O-CE1 3.38Å
24	F	96.9	Very high	79	Confident	98 Å²	98	67.5 Å²	67.5	43%	0.43	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	96.1	169.5	-164.6	-92.3	0	0	0	109.8	I26 D133 V134 V135 H153 L154	F24-I26 HydrophobicContact CD1-CD1 3.84Å; F24-I26 HydrophobicContact CD1-CG1 3.54Å; F24-I26 HydrophobicContact CE1-CD1 3.89Å; F24-I26 HydrophobicContact CE1-CG1 3.61Å; F24-D133 PolarHBondContact N-O 3.11Å; F24-V134 HydrophobicContact CB-CG2 4.37Å; F24-V134 WeakPolarHBondContact O-CA 3.46Å; F24-V135 PolarHBondContact O-N 3.38Å; F24-V135 VanDerWaalsContact O-N 3.08Å; F24-H153 HydrophobicContact CD1-CB 4.41Å; F24-H153 HydrophobicContact CD2-CB 3.79Å; F24-H153 AromaticContact CD2-CG 3.91Å; F24-H153 HydrophobicContact CE1-CB 4.05Å; F24-H153 HydrophobicContact CE2-CB 3.37Å; F24-H153 AromaticContact CE2-CG 3.97Å; F24-H153 HydrophobicContact CG-CB 4.3Å; F24-H153 HydrophobicContact CZ-CB 3.51Å; F24-L154 HydrophobicContact CE1-CB 3.98Å; F24-L154 HydrophobicContact CZ-CB 4.23Å
25	L	97.8	Very high	81.1	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	119.2	178.8	-157.5	65.4	0	0	0	111.9	P23 L101 V105 V135 M151 F152 H153	P23-L25 PolarHBondContact O-N 2.83Å; P23-L25 VanDerWaalsContact O-N 3.11Å; L25-L101 HydrophobicContact CD1-CD2 4.33Å; L25-V105 HydrophobicContact CD2-CG2 4.02Å; L25-V135 HydrophobicContact CD1-CB 3.47Å; L25-V135 VanDerWaalsContact CD1-CB 3.47Å; L25-V135 HydrophobicContact CD1-CG1 3.41Å; L25-V135 VanDerWaalsContact CD1-CG1 3.41Å; L25-V135 HydrophobicContact CD1-CG2 4.36Å; L25-M151 HydrophobicContact CD2-CB 3.8Å; L25-F152 HydrophobicContact CB-CD1 4.36Å; L25-F152 HydrophobicContact CD2-CD1 3.85Å; L25-F152 HydrophobicContact CD2-CE1 3.84Å; L25-F152 HydrophobicContact CG-CD1 3.69Å; L25-F152 HydrophobicContact CG-CE1 3.84Å; L25-H153 PolarHBondContact N-ND1 2.79Å; L25-H153 PolarHBondContact O-N 3.48Å; L25-H153 PolarHBondContact O-ND1 2.84Å
26	I	98.4	Very high	83.1	Confident	22 Å²	22	56 Å²	56	11%	0.113	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.4	177.3	-53.8	-179.4	0	0	0	108.6	F24 V28 V134 V135 L136 F137 L154 L156	F24-I26 HydrophobicContact CD1-CD1 3.84Å; F24-I26 HydrophobicContact CD1-CG1 3.54Å; F24-I26 HydrophobicContact CE1-CD1 3.89Å; F24-I26 HydrophobicContact CE1-CG1 3.61Å; I26-V28 HydrophobicContact CG2-CG2 4.31Å; I26-V134 HydrophobicContact CD1-CG1 3.91Å; I26-V134 HydrophobicContact CG1-CG1 4.34Å; I26-V135 PolarHBondContact N-O 2.81Å; I26-L136 HydrophobicContact CB-CD2 3.88Å; I26-L136 HydrophobicContact CD1-CD2 3.85Å; I26-L136 HydrophobicContact CG1-CD2 4.28Å; I26-L136 HydrophobicContact CG2-CD2 4.23Å; I26-F137 PolarHBondContact O-N 3.38Å; I26-L154 WeakPolarHBondContact CA-O 3.34Å; I26-L154 HydrophobicContact CD1-CD2 4.36Å; I26-L154 HydrophobicContact CG1-CB 4.25Å; I26-L154 HydrophobicContact CG2-CB 4.17Å; I26-L154 HydrophobicContact CG2-CD2 4.15Å; I26-L154 HydrophobicContact CG2-CG 4.29Å; I26-L156 HydrophobicContact CG2-CD1 4.04Å; I26-L156 HydrophobicContact CG2-CG 4.24Å
27	G	98.3	Very high	85.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	137.2	172.3	0	0	0	0	0	111.2	F137 F143 F152 L154 L156	G27-F137 CarbonylContact C-O 3.57Å; G27-F137 WeakPolarHBondContact CA-O 3.42Å; G27-F143 WeakPolarHBondContact O-CZ 3.35Å; G27-F152 VanDerWaalsContact N-CD1 3.29Å; G27-L154 PolarHBondContact N-O 3.07Å; G27-L156 PolarHBondContact O-N 2.81Å
28	V	98.4	Very high	87.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	105.6	176.9	-173	0	0	0	0	109.3	I26 K36 F137 E138 G139 L156 V158	I26-V28 HydrophobicContact CG2-CG2 4.31Å; V28-K36 HydrophobicContact CG1-CB 4.14Å; V28-K36 HydrophobicContact CG1-CG 4.44Å; V28-F137 PolarHBondContact N-O 3.3Å; V28-E138 HydrophobicContact CB-CB 4.01Å; V28-E138 WeakPolarHBondContact O-CA 3.02Å; V28-G139 PolarHBondContact O-N 3.28Å; V28-L156 CarbonylContact C-O 3.6Å; V28-L156 WeakPolarHBondContact CA-O 3.49Å; V28-L156 HydrophobicContact CG2-CB 4.36Å; V28-L156 HydrophobicContact CG2-CD1 4.29Å; V28-V158 HydrophobicContact CG1-CG2 4.12Å
29	S	98	Very high	89.4	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.028	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	176	179.8	-153.7	0	0	0	0	113.1	G139 I140 F143 L156 F157 V158	S29-G139 VanDerWaalsContact CA-O 3.31Å; S29-G139 WeakPolarHBondContact CA-O 3.47Å; S29-G139 PolarHBondContact OG-O 2.85Å; S29-I140 PolarHBondContact OG-O 3.14Å; S29-F143 VanDerWaalsContact CB-CD2 3.49Å; S29-F143 VanDerWaalsContact CB-CE2 3.42Å; S29-L156 PolarHBondContact N-O 2.87Å; S29-F157 CarbonylContact O-C 3.56Å; S29-F157 WeakPolarHBondContact O-CA 3.47Å; S29-V158 PolarHBondContact O-N 2.78Å
30	G	95.8	Very high	91.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.01	22%	0.224	C	C	.	.			trans	140.4	153.5	-173.3	0	0	0	0	0	111.2	K36	G30-K36 WeakPolarHBondContact O-CD 3.44Å; G30-K36 VanDerWaalsContact O-CE 3.31Å; G30-K36 WeakPolarHBondContact O-CE 3.41Å; G30-K36 PolarHBondContact O-NZ 3.08Å
31	G	91.5	Very high	93.2	Very high	16 Å²	16	42.6 Å²	42.6	17%	0.165	22%	0.221	C	C	.	.	S	Bend	trans	-64.6	162.4	-177	0	0	0	0	0	113.8	A33 S34 K36	G31-A33 PolarHBondContact O-N 3.35Å; G31-S34 WeakPolarHBondContact O-CB 3.42Å; G31-S34 PolarHBondContact O-N 2.97Å; G31-S34 PolarHBondContact O-OG 3.21Å; G31-K36 PolarHBondContact O-NZ 2.82Å
32	T	91.3	Very high	94.3	Very high	39 Å²	39	39.5 Å²	39.5	24%	0.239	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	140.5	177.5	-55	0	0	0	0	111	S34 R165	T32-S34 PolarHBondContact O-N 3.21Å; T32-S34 VanDerWaalsContact O-N 3.16Å; T32-R165 PolarHBondContact O-NE 2.85Å; T32-R165 VanDerWaalsContact O-NE 3.1Å
33	A	89.1	Confident	94.5	Very high	16 Å²	16	33 Å²	33	13%	0.132	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	15	-175.1	0	0	0	0	0	116.4	G31 G35 R165 R168 R169	G31-A33 PolarHBondContact O-N 3.35Å; A33-G35 VanDerWaalsContact C-N 3.3Å; A33-G35 PolarHBondContact O-N 2.97Å; A33-R165 WeakPolarHBondContact CB-O 3.46Å; A33-R168 HydrophobicContact CB-CB 4.05Å; A33-R168 WeakPolarHBondContact O-CD 3.29Å; A33-R168 PolarHBondContact O-NH1 2.83Å; A33-R169 HydrophobicContact CB-CB 4.16Å
34	S	91.6	Very high	94.4	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.014	19%	0.186	C	C	.	.	S	Bend	trans	-69.2	-26.7	175.4	70.1	0	0	0	0	113.6	G31 T32 V158 T160 R168	G31-S34 WeakPolarHBondContact O-CB 3.42Å; G31-S34 PolarHBondContact O-N 2.97Å; G31-S34 PolarHBondContact O-OG 3.21Å; T32-S34 PolarHBondContact O-N 3.21Å; T32-S34 VanDerWaalsContact O-N 3.16Å; S34-V158 WeakPolarHBondContact CB-O 3.38Å; S34-V158 WeakPolarHBondContact O-CG1 3.42Å; S34-V158 PolarHBondContact OG-O 3.39Å; S34-T160 PolarHBondContact O-OG1 2.84Å; S34-R168 PolarHBondContact O-NH1 2.86Å
35	G	91.8	Very high	94.1	Very high	16 Å²	16	33.2 Å²	33.2	17%	0.165	19%	0.186	C	C	.	.	S	Bend	trans	115.7	7.4	-178.6	0	0	0	0	0	115.2	A33 S37 T38 V39	A33-G35 VanDerWaalsContact C-N 3.3Å; A33-G35 PolarHBondContact O-N 2.97Å; G35-S37 PolarHBondContact O-N 2.88Å; G35-T38 WeakPolarHBondContact O-CB 3.42Å; G35-T38 PolarHBondContact O-N 3.24Å; G35-V39 WeakPolarHBondContact O-CG2 3.17Å; G35-V39 PolarHBondContact O-N 2.67Å
36	K	95.8	Very high	93.7	Very high	12 Å²	12	39.7 Å²	39.7	5%	0.052	22%	0.22	C	C	.	.	H	α-helix	trans	-46.1	-57.6	177.2	-56.7	173.1	-69.5	-60.2	0	113.2	V28 G30 G31 T38 V39 C40 V158	V28-K36 HydrophobicContact CG1-CB 4.14Å; V28-K36 HydrophobicContact CG1-CG 4.44Å; G30-K36 WeakPolarHBondContact O-CD 3.44Å; G30-K36 VanDerWaalsContact O-CE 3.31Å; G30-K36 WeakPolarHBondContact O-CE 3.41Å; G30-K36 PolarHBondContact O-NZ 3.08Å; G31-K36 PolarHBondContact O-NZ 2.82Å; K36-T38 VanDerWaalsContact C-N 3.3Å; K36-T38 PolarHBondContact O-N 3.47Å; K36-V39 WeakPolarHBondContact O-CB 3.46Å; K36-V39 PolarHBondContact O-N 3.19Å; K36-V39 VanDerWaalsContact O-N 3.15Å; K36-C40 PolarHBondContact O-N 2.97Å; K36-C40 PolarHBondContact O-SG 3.5Å; K36-C40 VanDerWaalsContact O-SG 3.39Å; K36-V158 HydrophobicContact CG-CB 4.41Å; K36-V158 HydrophobicContact CG-CG2 4.42Å
37	S	93.1	Very high	93.3	Very high	51 Å²	51	43.3 Å²	43.3	36%	0.357	24%	0.239	S	C	.	.	H	α-helix	trans	-63.8	-39.5	-176.2	-39.8	0	0	0	0	110.5	G35 V39 C40 E41 E138	G35-S37 PolarHBondContact O-N 2.88Å; S37-V39 PolarHBondContact O-N 2.93Å; S37-C40 PolarHBondContact O-N 3.46Å; S37-E41 WeakPolarHBondContact O-CB 3.42Å; S37-E41 VanDerWaalsContact O-CG 3.3Å; S37-E41 WeakPolarHBondContact O-CG 3.42Å; S37-E41 PolarHBondContact O-N 3.21Å; S37-E138 PolarHBondContact OG-OE2 3.41Å
38	T	94	Very high	92.7	Very high	93 Å²	93	45 Å²	45	57%	0.571	26%	0.257	S	S	*	.	H	α-helix	trans	-62.1	-40.7	174.2	-47.3	0	0	0	0	112.7	G35 K36 E41 K42	G35-T38 WeakPolarHBondContact O-CB 3.42Å; G35-T38 PolarHBondContact O-N 3.24Å; K36-T38 VanDerWaalsContact C-N 3.3Å; K36-T38 PolarHBondContact O-N 3.47Å; T38-E41 PolarHBondContact O-N 3.27Å; T38-K42 WeakPolarHBondContact O-CB 3.41Å; T38-K42 PolarHBondContact O-N 3.46Å
39	V	94.1	Very high	92.1	Very high	58 Å²	58	46.3 Å²	46.3	35%	0.352	26%	0.263	S	S	.	.	H	α-helix	trans	-63.8	-46.4	174.9	170.1	0	0	0	0	110.2	G35 K36 S37 E41 K42 I43 V158	G35-V39 WeakPolarHBondContact O-CG2 3.17Å; G35-V39 PolarHBondContact O-N 2.67Å; K36-V39 WeakPolarHBondContact O-CB 3.46Å; K36-V39 PolarHBondContact O-N 3.19Å; K36-V39 VanDerWaalsContact O-N 3.15Å; S37-V39 PolarHBondContact O-N 2.93Å; V39-E41 PolarHBondContact O-N 3.47Å; V39-K42 PolarHBondContact O-N 3.47Å; V39-I43 HydrophobicContact CG1-CD1 3.99Å; V39-I43 VanDerWaalsContact O-CG1 3.3Å; V39-I43 WeakPolarHBondContact O-CG1 3.39Å; V39-I43 PolarHBondContact O-N 3.5Å; V39-V158 HydrophobicContact CG2-CG2 4.23Å
40	C	94.8	Very high	91.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-45.4	176.9	-67	0	0	0	0	112.2	K36 S37 K42 I43 M44 I61 L136	K36-C40 PolarHBondContact O-N 2.97Å; K36-C40 PolarHBondContact O-SG 3.5Å; K36-C40 VanDerWaalsContact O-SG 3.39Å; S37-C40 PolarHBondContact O-N 3.46Å; C40-K42 VanDerWaalsContact C-N 3.34Å; C40-K42 PolarHBondContact O-N 3.13Å; C40-I43 PolarHBondContact O-N 2.93Å; C40-M44 WeakPolarHBondContact O-CG 3.27Å; C40-M44 PolarHBondContact O-N 2.9Å; C40-I61 HydrophobicContact CB-CD1 3.68Å; C40-I61 HydrophobicContact CB-CG1 4.07Å; C40-I61 HydrophobicContact CB-CG2 4.31Å; C40-L136 HydrophobicContact CB-CD1 4.24Å
41	E	93.1	Very high	90.6	Very high	120 Å²	120	58.1 Å²	58.1	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-60.5	-42.3	175.9	-75.2	172.8	-179.7	0	0	111.8	S37 T38 V39 I43 M44 E45	S37-E41 WeakPolarHBondContact O-CB 3.42Å; S37-E41 VanDerWaalsContact O-CG 3.3Å; S37-E41 WeakPolarHBondContact O-CG 3.42Å; S37-E41 PolarHBondContact O-N 3.21Å; T38-E41 PolarHBondContact O-N 3.27Å; V39-E41 PolarHBondContact O-N 3.47Å; E41-I43 VanDerWaalsContact C-N 3.34Å; E41-I43 PolarHBondContact O-N 3.25Å; E41-M44 WeakPolarHBondContact O-CB 2.97Å; E41-M44 PolarHBondContact O-N 3.21Å; E41-E45 PolarHBondContact O-N 3.02Å
42	K	93.6	Very high	90.2	Very high	93 Å²	93	59.2 Å²	59.2	40%	0.404	32%	0.323	S	S	.	.	H	α-helix	trans	-65.4	-37.4	177	-164.9	71.8	-161.9	166.3	0	112.3	T38 V39 C40 M44 E45 L46	T38-K42 WeakPolarHBondContact O-CB 3.41Å; T38-K42 PolarHBondContact O-N 3.46Å; V39-K42 PolarHBondContact O-N 3.47Å; C40-K42 VanDerWaalsContact C-N 3.34Å; C40-K42 PolarHBondContact O-N 3.13Å; K42-M44 VanDerWaalsContact C-N 3.35Å; K42-E45 WeakPolarHBondContact CD-OE2 3.3Å; K42-E45 IonicContact NZ-OE1 2.77Å; K42-E45 PolarHBondContact NZ-OE1 2.95Å; K42-E45 IonicContact NZ-OE2 3.65Å; K42-E45 PolarHBondContact NZ-OE2 3.39Å; K42-E45 PolarHBondContact O-N 3.47Å; K42-L46 HydrophobicContact CG-CD1 4.16Å; K42-L46 HydrophobicContact CG-CG 4.44Å; K42-L46 WeakPolarHBondContact O-CB 3.44Å; K42-L46 VanDerWaalsContact O-CG 3.26Å; K42-L46 WeakPolarHBondContact O-CG 3.49Å; K42-L46 PolarHBondContact O-N 3.26Å
43	I	92.6	Very high	89.8	Confident	50 Å²	50	63.9 Å²	63.9	26%	0.256	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-45.1	173.2	-67.9	164.1	0	0	0	110.2	V39 C40 E41 E45 L46 L47 L136	V39-I43 HydrophobicContact CG1-CD1 3.99Å; V39-I43 VanDerWaalsContact O-CG1 3.3Å; V39-I43 WeakPolarHBondContact O-CG1 3.39Å; V39-I43 PolarHBondContact O-N 3.5Å; C40-I43 PolarHBondContact O-N 2.93Å; E41-I43 VanDerWaalsContact C-N 3.34Å; E41-I43 PolarHBondContact O-N 3.25Å; I43-E45 PolarHBondContact O-N 3.26Å; I43-L46 PolarHBondContact O-N 3.46Å; I43-L47 HydrophobicContact CG2-CD1 3.82Å; I43-L47 WeakPolarHBondContact O-CB 3.41Å; I43-L47 VanDerWaalsContact O-CG 3.27Å; I43-L47 WeakPolarHBondContact O-CG 3.42Å; I43-L47 PolarHBondContact O-N 3.22Å; I43-L47 VanDerWaalsContact O-N 3.13Å; I43-L136 HydrophobicContact CB-CD1 4.18Å; I43-L136 HydrophobicContact CD1-CD1 4.46Å; I43-L136 HydrophobicContact CG2-CD1 3.93Å
44	M	91.6	Very high	89.3	Confident	10 Å²	10	68.1 Å²	68.1	5%	0.049	36%	0.359	C	S	.	.	H	α-helix	trans	-61.4	-42.1	176.9	-71.5	-70.2	-72.5	0	0	112.6	C40 E41 K42 L47 G48 Q49 V59 I61	C40-M44 WeakPolarHBondContact O-CG 3.27Å; C40-M44 PolarHBondContact O-N 2.9Å; E41-M44 WeakPolarHBondContact O-CB 2.97Å; E41-M44 PolarHBondContact O-N 3.21Å; K42-M44 VanDerWaalsContact C-N 3.35Å; M44-L47 PolarHBondContact O-N 2.79Å; M44-G48 PolarHBondContact O-N 3.15Å; M44-Q49 HydrophobicContact CE-CB 3.51Å; M44-Q49 PolarHBondContact O-N 2.77Å; M44-Q49 HydrophobicContact SD-CB 3.87Å; M44-V59 VanDerWaalsContact CE-O 3.26Å; M44-V59 WeakPolarHBondContact CE-O 3.44Å; M44-V59 HydrophobicContact SD-CB 3.67Å; M44-V59 HydrophobicContact SD-CG1 3.57Å; M44-V59 VanDerWaalsContact SD-CG1 3.57Å; M44-I61 HydrophobicContact CB-CD1 4.48Å; M44-I61 HydrophobicContact CG-CD1 3.41Å; M44-I61 VanDerWaalsContact CG-CD1 3.41Å; M44-I61 HydrophobicContact CG-CG1 3.75Å; M44-I61 HydrophobicContact SD-CD1 4.47Å; M44-I61 HydrophobicContact SD-CG1 4.22Å
45	E	91.1	Very high	89	Confident	95 Å²	95	76.4 Å²	76.4	44%	0.444	39%	0.39	S	S	.	.	H	α-helix	trans	-63.6	-49.4	177.4	-173.1	-163	146.5	0	0	111.5	E41 K42 I43 L47 G48	E41-E45 PolarHBondContact O-N 3.02Å; K42-E45 WeakPolarHBondContact CD-OE2 3.3Å; K42-E45 IonicContact NZ-OE1 2.77Å; K42-E45 PolarHBondContact NZ-OE1 2.95Å; K42-E45 IonicContact NZ-OE2 3.65Å; K42-E45 PolarHBondContact NZ-OE2 3.39Å; K42-E45 PolarHBondContact O-N 3.47Å; I43-E45 PolarHBondContact O-N 3.26Å; E45-L47 PolarHBondContact O-N 2.97Å; E45-G48 PolarHBondContact O-N 3.21Å
46	L	90.4	Very high	88.6	Confident	135 Å²	135	82 Å²	82	71%	0.707	41%	0.412	S	S	*	.	H	α-helix	trans	-64.1	-25.2	-179.5	-70.4	172.6	0	0	0	113	K42 I43	K42-L46 HydrophobicContact CG-CD1 4.16Å; K42-L46 HydrophobicContact CG-CG 4.44Å; K42-L46 WeakPolarHBondContact O-CB 3.44Å; K42-L46 VanDerWaalsContact O-CG 3.26Å; K42-L46 WeakPolarHBondContact O-CG 3.49Å; K42-L46 PolarHBondContact O-N 3.26Å; I43-L46 PolarHBondContact O-N 3.46Å
47	L	89.4	Confident	88.2	Confident	99 Å²	99	84.6 Å²	84.6	52%	0.518	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	3.2	175.5	-63.6	175.6	0	0	0	113.3	I43 M44 E45 Q49 V59	I43-L47 HydrophobicContact CG2-CD1 3.82Å; I43-L47 WeakPolarHBondContact O-CB 3.41Å; I43-L47 VanDerWaalsContact O-CG 3.27Å; I43-L47 WeakPolarHBondContact O-CG 3.42Å; I43-L47 PolarHBondContact O-N 3.22Å; I43-L47 VanDerWaalsContact O-N 3.13Å; M44-L47 PolarHBondContact O-N 2.79Å; E45-L47 PolarHBondContact O-N 2.97Å; L47-Q49 HydrophobicContact CB-CG 3.93Å; L47-Q49 PolarHBondContact O-N 2.92Å; L47-Q49 PolarHBondContact O-NE2 3.05Å; L47-V59 HydrophobicContact CD1-CG2 3.89Å
48	G	85.8	Confident	88.1	Confident	36 Å²	36	86.1 Å²	86.1	37%	0.371	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	24.6	-179.8	0	0	0	0	0	114.1	M44 E45 V52	M44-G48 PolarHBondContact O-N 3.15Å; E45-G48 PolarHBondContact O-N 3.21Å; G48-V52 WeakPolarHBondContact O-CG2 3.26Å
49	Q	85.9	Confident	88.1	Confident	26 Å²	26	82.1 Å²	82.1	12%	0.121	40%	0.397	C	S	.	.			trans	-90.2	-9.8	-175.2	-63.2	-61.9	-68.1	0	0	113.4	M44 L47 R57 V59	M44-Q49 HydrophobicContact CE-CB 3.51Å; M44-Q49 PolarHBondContact O-N 2.77Å; M44-Q49 HydrophobicContact SD-CB 3.87Å; L47-Q49 HydrophobicContact CB-CG 3.93Å; L47-Q49 PolarHBondContact O-N 2.92Å; L47-Q49 PolarHBondContact O-NE2 3.05Å; Q49-R57 PolarHBondContact O-NE 3.28Å; Q49-V59 HydrophobicContact CG-CB 4Å; Q49-V59 HydrophobicContact CG-CG2 3.94Å
50	N	80.7	Confident	88.2	Confident	75 Å²	75	80.2 Å²	80.2	40%	0.401	39%	0.385	S	S	.	.	S	Bend	trans	-68.3	-36.5	177.1	56.6	-20.2	0	0	0	112.5	R57	N50-R57 PolarHBondContact O-NH2 3.37Å
51	E	80.8	Confident	88.3	Confident	179 Å²	179	83 Å²	83	84%	0.836	40%	0.4	S	S	*	.	S	Bend	trans	-87.3	-9.1	-178.8	-65	177.4	-174	0	0	113.5
52	V	83.8	Confident	88.4	Confident	39 Å²	39	77.5 Å²	77.5	24%	0.236	37%	0.374	C	S	.	.	S	Bend	trans	-84.3	137.3	179.9	-178.8	0	0	0	0	110.4	G48 Q56 R57	G48-V52 WeakPolarHBondContact O-CG2 3.26Å; V52-Q56 HydrophobicContact CG1-CB 3.62Å; V52-R57 HydrophobicContact CB-CG 4.13Å; V52-R57 HydrophobicContact CG1-CG 4.13Å; V52-R57 PolarHBondContact O-NE 3.39Å; V52-R57 PolarHBondContact O-NH2 3.35Å
53	E	82.8	Confident	88.6	Confident	137 Å²	137	74 Å²	74	64%	0.64	36%	0.362	S	S	*	.			trans	-56.6	143.6	173.9	-69.6	-174.5	-163.6	0	0	111.6	R55 Q56 R57	E53-R55 PolarHBondContact O-N 2.92Å; E53-Q56 PolarHBondContact O-N 3.22Å; E53-R57 PolarHBondContact O-N 2.99Å
54	Q	79	Confident	88.8	Confident	105 Å²	105	71.7 Å²	71.7	49%	0.491	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-32.7	-173.9	-70.1	-174.9	-12.4	0	0	114.4	Q56	Q54-Q56 VanDerWaalsContact C-N 3.33Å
55	R	84.3	Confident	89	Confident	176 Å²	176	73.3 Å²	73.3	66%	0.664	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-23.9	178.8	-78	-178	177.3	-149.5	2.4	114.4	E53 Y130	E53-R55 PolarHBondContact O-N 2.92Å; R55-Y130 HydrophobicContact CB-CD2 4.29Å; R55-Y130 HydrophobicContact CB-CE2 4.37Å; R55-Y130 HydrophobicContact CG-CD1 4.2Å; R55-Y130 HydrophobicContact CG-CD2 3.63Å; R55-Y130 HydrophobicContact CG-CE1 3.9Å; R55-Y130 HydrophobicContact CG-CE2 3.27Å; R55-Y130 HydrophobicContact CG-CG 4.08Å; R55-Y130 VanDerWaalsContact CG-CZ 3.43Å; R55-Y130 PolarHBondContact NE-OH 2.9Å; R55-Y130 PolarHBondContact NH2-OH 3.44Å; R55-Y130 VanDerWaalsContact NH2-OH 3.11Å
56	Q	84.6	Confident	89.2	Confident	132 Å²	132	72.7 Å²	72.7	62%	0.617	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-2.3	-175.3	-67.4	176.7	-21.1	0	0	112.3	V52 E53 Q54 K58	V52-Q56 HydrophobicContact CG1-CB 3.62Å; E53-Q56 PolarHBondContact O-N 3.22Å; Q54-Q56 VanDerWaalsContact C-N 3.33Å; Q56-K58 PolarHBondContact O-N 2.93Å
57	R	87.7	Confident	89.6	Confident	68 Å²	68	66.2 Å²	66.2	26%	0.257	32%	0.318	S	S	.	.			trans	-65.6	128.7	178.6	-76.8	-179.1	-174.7	-171.2	-6.3	110.7	Q49 N50 V52 E53 V60	Q49-R57 PolarHBondContact O-NE 3.28Å; N50-R57 PolarHBondContact O-NH2 3.37Å; V52-R57 HydrophobicContact CB-CG 4.13Å; V52-R57 HydrophobicContact CG1-CG 4.13Å; V52-R57 PolarHBondContact O-NE 3.39Å; V52-R57 PolarHBondContact O-NH2 3.35Å; E53-R57 PolarHBondContact O-N 2.99Å; R57-V60 HydrophobicContact CB-CG1 4.29Å
58	K	91.4	Very high	89.9	Confident	82 Å²	82	61.7 Å²	61.7	36%	0.357	30%	0.295	S	S	.	.	S	Bend	trans	-87.2	-20.2	172	-64.8	-173.9	174.7	-173.3	0	112.4	Q56 D133 V134	Q56-K58 PolarHBondContact O-N 2.93Å; K58-D133 HydrophobicContact CB-CB 4.41Å; K58-D133 WeakPolarHBondContact CD-OD2 3.3Å; K58-D133 PolarHBondContact O-N 3.48Å; K58-V134 PolarHBondContact O-N 2.93Å
59	V	94.1	Very high	90.2	Very high	9 Å²	9	63.7 Å²	63.7	6%	0.055	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.5	175.7	-169.2	0	0	0	0	108.9	M44 L47 Q49 V134 L136	M44-V59 VanDerWaalsContact CE-O 3.26Å; M44-V59 WeakPolarHBondContact CE-O 3.44Å; M44-V59 HydrophobicContact SD-CB 3.67Å; M44-V59 HydrophobicContact SD-CG1 3.57Å; M44-V59 VanDerWaalsContact SD-CG1 3.57Å; L47-V59 HydrophobicContact CD1-CG2 3.89Å; Q49-V59 HydrophobicContact CG-CB 4Å; Q49-V59 HydrophobicContact CG-CG2 3.94Å; V59-V134 WeakPolarHBondContact CA-O 3.48Å; V59-V134 HydrophobicContact CB-CB 4.48Å; V59-V134 HydrophobicContact CG1-CB 4.14Å; V59-V134 HydrophobicContact CG1-CG1 4.19Å; V59-V134 HydrophobicContact CG2-CB 4.12Å; V59-L136 HydrophobicContact CG1-CD1 4.08Å; V59-L136 HydrophobicContact CG1-CG 4.07Å
60	V	95.1	Very high	90.4	Very high	18 Å²	18	66.3 Å²	66.3	11%	0.109	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.9	177.3	-62.8	0	0	0	0	110.8	R57 V129 A132 V134 V135 L136	R57-V60 HydrophobicContact CB-CG1 4.29Å; V60-V129 HydrophobicContact CG2-CG1 4.21Å; V60-A132 HydrophobicContact CB-CB 4.41Å; V60-A132 HydrophobicContact CG1-CB 3.84Å; V60-A132 HydrophobicContact CG2-CB 3.79Å; V60-V134 PolarHBondContact N-O 3.04Å; V60-V135 HydrophobicContact CG2-CB 4.15Å; V60-V135 HydrophobicContact CG2-CG1 4.13Å; V60-V135 HydrophobicContact CG2-CG2 3.66Å; V60-L136 PolarHBondContact O-N 3.4Å
61	I	95.9	Very high	90.9	Very high	59 Å²	59	63.2 Å²	63.2	30%	0.303	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.3	171.2	-59.7	169.9	0	0	0	108.6	C40 M44 L136 E138	C40-I61 HydrophobicContact CB-CD1 3.68Å; C40-I61 HydrophobicContact CB-CG1 4.07Å; C40-I61 HydrophobicContact CB-CG2 4.31Å; M44-I61 HydrophobicContact CB-CD1 4.48Å; M44-I61 HydrophobicContact CG-CD1 3.41Å; M44-I61 VanDerWaalsContact CG-CD1 3.41Å; M44-I61 HydrophobicContact CG-CG1 3.75Å; M44-I61 HydrophobicContact SD-CD1 4.47Å; M44-I61 HydrophobicContact SD-CG1 4.22Å; I61-L136 CarbonylContact C-O 3.6Å; I61-L136 WeakPolarHBondContact CA-O 3.23Å; I61-L136 HydrophobicContact CG1-CB 4.17Å; I61-L136 HydrophobicContact CG1-CD1 4.01Å; I61-E138 HydrophobicContact CG2-CG 4.25Å
62	L	96.9	Very high	91.4	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.2	172.1	-177.7	67.1	0	0	0	108.7	F67 L101 I104 V112 L136 F137 E138	L62-F67 HydrophobicContact CD1-CE2 4.1Å; L62-F67 HydrophobicContact CD1-CZ 4.25Å; L62-F67 HydrophobicContact CD2-CE2 4.11Å; L62-F67 HydrophobicContact CD2-CZ 4.13Å; L62-F67 HydrophobicContact CG-CE2 4.08Å; L62-F67 HydrophobicContact CG-CZ 4.45Å; L62-L101 HydrophobicContact CD2-CD2 3.93Å; L62-I104 HydrophobicContact CD2-CD1 3.84Å; L62-V112 HydrophobicContact CD1-CB 4.28Å; L62-V112 HydrophobicContact CD1-CG1 3.57Å; L62-V112 HydrophobicContact CD1-CG2 3.84Å; L62-L136 PolarHBondContact N-O 2.86Å; L62-F137 HydrophobicContact CB-CD2 3.82Å; L62-F137 HydrophobicContact CB-CE2 4.49Å; L62-F137 HydrophobicContact CD2-CD2 3.71Å; L62-F137 HydrophobicContact CD2-CE2 3.93Å; L62-F137 HydrophobicContact CG-CD2 3.65Å; L62-F137 HydrophobicContact CG-CE2 3.86Å; L62-F137 CarbonylContact O-C 3.58Å; L62-F137 WeakPolarHBondContact O-CA 3.44Å; L62-F137 VanDerWaalsContact O-CD2 3.24Å; L62-F137 WeakPolarHBondContact O-CD2 3.39Å; L62-E138 PolarHBondContact O-N 3Å
63	S	97.1	Very high	91.7	Very high	20 Å²	20	60.7 Å²	60.7	14%	0.14	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134.9	-179.9	-176.4	0	0	0	0	110.9	D65 R66 E138	S63-D65 PolarHBondContact O-N 3.44Å; S63-R66 WeakPolarHBondContact O-CB 3.4Å; S63-R66 PolarHBondContact O-N 3.25Å; S63-E138 CarbonylContact C-O 3.52Å; S63-E138 WeakPolarHBondContact CA-O 3.38Å; S63-E138 WeakPolarHBondContact CB-OE1 3.07Å; S63-E138 PolarHBondContact OG-OE1 3.16Å
64	Q	97.6	Very high	92.2	Very high	1 Å²	1	60 Å²	60	1%	0.005	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-59.7	-30.5	176	-172.9	175.2	22.6	0	0	112.1	R66 F67 F92 M97 F137 E138 L141 V142	Q64-R66 PolarHBondContact O-N 3.42Å; Q64-R66 VanDerWaalsContact O-N 3.13Å; Q64-F67 WeakPolarHBondContact O-CB 3.42Å; Q64-F67 PolarHBondContact O-N 2.89Å; Q64-F92 HydrophobicContact CG-CD1 3.83Å; Q64-F92 HydrophobicContact CG-CE1 3.81Å; Q64-M97 HydrophobicContact CG-SD 3.93Å; Q64-F137 HydrophobicContact CB-CE2 4.38Å; Q64-F137 HydrophobicContact CB-CZ 3.97Å; Q64-F137 HydrophobicContact CG-CZ 4.26Å; Q64-E138 WeakPolarHBondContact CB-O 3.49Å; Q64-E138 PolarHBondContact N-O 2.85Å; Q64-L141 PolarHBondContact NE2-O 3.13Å; Q64-V142 HydrophobicContact CB-CG1 3.97Å; Q64-V142 HydrophobicContact CG-CG1 4.34Å
65	D	94.8	Very high	92.8	Very high	45 Å²	45	58.1 Å²	58.1	24%	0.241	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-62.4	-23.5	-178.2	-66.5	-7.5	0	0	0	112.5	S63 F67 Y68 F117	S63-D65 PolarHBondContact O-N 3.44Å; D65-F67 PolarHBondContact O-N 3.48Å; D65-F67 VanDerWaalsContact O-N 3.14Å; D65-Y68 HydrophobicContact CB-CD2 4.22Å; D65-Y68 HydrophobicContact CB-CE2 3.9Å; D65-Y68 WeakPolarHBondContact O-CD2 3.17Å; D65-Y68 PolarHBondContact O-N 3.04Å; D65-F117 HydrophobicContact CB-CE1 4.34Å; D65-F117 HydrophobicContact CB-CZ 3.73Å
66	R	96.1	Very high	93.1	Very high	81 Å²	81	53.1 Å²	53.1	31%	0.306	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-62.3	-22.1	173.1	-67.7	-167.8	127.8	102.5	-1.1	112.7	S63 Q64 V112 P113 T127	S63-R66 WeakPolarHBondContact O-CB 3.4Å; S63-R66 PolarHBondContact O-N 3.25Å; Q64-R66 PolarHBondContact O-N 3.42Å; Q64-R66 VanDerWaalsContact O-N 3.13Å; R66-V112 HydrophobicContact CB-CG1 4.04Å; R66-P113 WeakPolarHBondContact CB-O 3.4Å; R66-P113 WeakPolarHBondContact CD-O 3.4Å; R66-P113 PolarHBondContact NE-O 3.43Å; R66-P113 WeakPolarHBondContact O-CG 3.19Å; R66-T127 PolarHBondContact NH2-OG1 3.06Å
67	F	97	Very high	93.4	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-95.7	14.1	-176.6	-58.1	-85.3	0	0	0	113.6	L62 Q64 D65 D93 L96 M97 T100 V112 F137	L62-F67 HydrophobicContact CD1-CE2 4.1Å; L62-F67 HydrophobicContact CD1-CZ 4.25Å; L62-F67 HydrophobicContact CD2-CE2 4.11Å; L62-F67 HydrophobicContact CD2-CZ 4.13Å; L62-F67 HydrophobicContact CG-CE2 4.08Å; L62-F67 HydrophobicContact CG-CZ 4.45Å; Q64-F67 WeakPolarHBondContact O-CB 3.42Å; Q64-F67 PolarHBondContact O-N 2.89Å; D65-F67 PolarHBondContact O-N 3.48Å; D65-F67 VanDerWaalsContact O-N 3.14Å; F67-D93 WeakPolarHBondContact O-CB 3.46Å; F67-D93 PolarHBondContact O-N 3Å; F67-L96 HydrophobicContact CD1-CB 4.38Å; F67-L96 HydrophobicContact CD1-CD2 4.12Å; F67-L96 HydrophobicContact CD1-CG 3.91Å; F67-L96 HydrophobicContact CE1-CG 4.12Å; F67-M97 HydrophobicContact CB-CB 4.16Å; F67-M97 HydrophobicContact CD1-CB 3.82Å; F67-M97 HydrophobicContact CD2-CB 4.37Å; F67-M97 HydrophobicContact CD2-CG 4.27Å; F67-M97 HydrophobicContact CE1-CB 4.31Å; F67-M97 HydrophobicContact CG-CB 3.84Å; F67-M97 HydrophobicContact CG-CG 4.24Å; F67-T100 HydrophobicContact CE1-CG2 4.13Å; F67-T100 HydrophobicContact CZ-CG2 3.9Å; F67-V112 HydrophobicContact CE2-CG1 4.39Å; F67-V112 HydrophobicContact CZ-CG1 3.97Å; F67-F137 HydrophobicContact CD2-CE2 4.38Å; F67-F137 AromaticContact CE2-CE2 3.98Å; F67-F137 HydrophobicContact CE2-CE2 3.98Å; F67-F137 HydrophobicContact CE2-CZ 4.47Å
68	Y	95.9	Very high	93.5	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.016	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-55.5	142.6	168.1	-82.8	-63.6	0	0	0	111.6	D65 F86 A91 F92 Y115 F117 R122	D65-Y68 HydrophobicContact CB-CD2 4.22Å; D65-Y68 HydrophobicContact CB-CE2 3.9Å; D65-Y68 WeakPolarHBondContact O-CD2 3.17Å; D65-Y68 PolarHBondContact O-N 3.04Å; Y68-F86 HydrophobicContact CD1-CD1 4.24Å; Y68-F86 HydrophobicContact CE1-CB 4.04Å; Y68-F86 HydrophobicContact CE1-CD1 4.04Å; Y68-F86 WeakPolarHBondContact CE1-O 3.36Å; Y68-A91 HydrophobicContact CD1-CB 4.12Å; Y68-A91 HydrophobicContact CE1-CB 4.05Å; Y68-F92 HydrophobicContact CD1-CD1 4.22Å; Y68-F92 HydrophobicContact CD1-CE1 4.01Å; Y68-F92 HydrophobicContact CD1-CZ 4.35Å; Y68-F92 HydrophobicContact CD2-CE1 4.49Å; Y68-F92 HydrophobicContact CE1-CD1 4.2Å; Y68-F92 AromaticContact CE1-CE1 3.59Å; Y68-F92 HydrophobicContact CE1-CE1 3.59Å; Y68-F92 HydrophobicContact CE1-CE2 4.13Å; Y68-F92 AromaticContact CE1-CZ 3.54Å; Y68-F92 HydrophobicContact CE1-CZ 3.54Å; Y68-F92 HydrophobicContact CE2-CE1 4.08Å; Y68-F92 HydrophobicContact CE2-CZ 4.47Å; Y68-F92 HydrophobicContact CG-CE1 4.42Å; Y68-F92 AromaticContact CZ-CE1 3.61Å; Y68-F92 AromaticContact CZ-CZ 3.6Å; Y68-F92 WeakPolarHBondContact OH-CZ 3.33Å; Y68-Y115 AromaticContact CD2-CD1 3.83Å; Y68-Y115 HydrophobicContact CD2-CD1 3.83Å; Y68-Y115 AromaticContact CD2-CE1 3.84Å; Y68-Y115 HydrophobicContact CD2-CE1 3.84Å; Y68-Y115 HydrophobicContact CD2-CG 4.29Å; Y68-Y115 HydrophobicContact CG-CD1 4.34Å; Y68-Y115 HydrophobicContact CG-CE1 4.08Å; Y68-Y115 HydrophobicContact CG-CE2 4.35Å; Y68-F117 HydrophobicContact CD2-CE1 4.19Å; Y68-F117 AromaticContact CE2-CE1 3.85Å; Y68-F117 HydrophobicContact CE2-CE1 3.85Å; Y68-R122 PolarHBondContact O-NE 2.88Å; Y68-R122 PolarHBondContact O-NH2 3.42Å
69	K	93.8	Very high	93.4	Very high	77 Å²	77	45.9 Å²	45.9	34%	0.335	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-69.6	150.7	175.1	-73.4	-179.7	-179.2	155.2	0	111	L71 D90 A91 F92 D93	K69-L71 PolarHBondContact O-N 2.73Å; K69-D90 WeakPolarHBondContact CD-O 3.26Å; K69-D90 WeakPolarHBondContact CE-O 3.43Å; K69-D90 PolarHBondContact NZ-O 3.11Å; K69-A91 PolarHBondContact N-O 2.73Å; K69-F92 WeakPolarHBondContact CE-O 3.32Å; K69-D93 HydrophobicContact CG-CB 3.97Å
70	V	89.9	Confident	93	Very high	82 Å²	82	51.1 Å²	51.1	50%	0.497	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-71.3	119.8	164.6	-178.3	0	0	0	0	107.7	R122	V70-R122 HydrophobicContact CG2-CB 4.05Å; V70-R122 HydrophobicContact CG2-CG 3.83Å
71	L	90	Very high	92.8	Very high	9 Å²	9	57.2 Å²	57.2	5%	0.047	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-73.2	139.8	-178.4	-61.3	-169.8	0	0	0	111.3	K69 Q75 K76 A79 Y84 F86 H120	K69-L71 PolarHBondContact O-N 2.73Å; L71-Q75 HydrophobicContact CB-CB 3.93Å; L71-Q75 HydrophobicContact CD1-CB 4.42Å; L71-Q75 HydrophobicContact CD2-CB 4.2Å; L71-Q75 HydrophobicContact CG-CB 4.4Å; L71-K76 HydrophobicContact CB-CG 3.53Å; L71-K76 HydrophobicContact CD1-CG 4.32Å; L71-K76 WeakPolarHBondContact O-CE 3.44Å; L71-A79 HydrophobicContact CD1-CB 3.88Å; L71-Y84 HydrophobicContact CD1-CD1 4.48Å; L71-Y84 HydrophobicContact CD2-CE1 3.87Å; L71-Y84 HydrophobicContact CD2-CE2 3.83Å; L71-Y84 VanDerWaalsContact CD2-CZ 3.44Å; L71-Y84 WeakPolarHBondContact CD2-OH 3.34Å; L71-F86 HydrophobicContact CD1-CE1 4.11Å; L71-F86 HydrophobicContact CD1-CZ 4.1Å; L71-H120 HydrophobicContact CD1-CB 3.87Å; L71-H120 HydrophobicContact CG-CB 4.43Å
72	T	91.7	Very high	92.3	Very high	78 Å²	78	56.5 Å²	56.5	48%	0.479	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-63.9	163.6	166.3	61.3	0	0	0	0	110.9	E74 Q75 K76	T72-E74 PolarHBondContact O-N 3.48Å; T72-Q75 PolarHBondContact O-N 2.82Å; T72-Q75 VanDerWaalsContact O-N 3.14Å; T72-Q75 WeakPolarHBondContact OG1-CB 3.5Å; T72-Q75 VanDerWaalsContact OG1-CG 3.29Å; T72-Q75 WeakPolarHBondContact OG1-CG 3.23Å; T72-Q75 PolarHBondContact OG1-N 2.81Å; T72-Q75 PolarHBondContact OG1-OE1 2.95Å; T72-K76 WeakPolarHBondContact O-CG 3.33Å; T72-K76 PolarHBondContact O-N 3.04Å
73	A	90.9	Very high	92	Very high	87 Å²	87	62.6 Å²	62.6	72%	0.719	34%	0.336	S	S	*	.	H	α-helix	trans	-55.1	-39.8	177.8	0	0	0	0	0	112.7	A77	A73-A77 PolarHBondContact O-N 3.41Å
74	E	92.3	Very high	91.7	Very high	124 Å²	124	63.5 Å²	63.5	58%	0.579	34%	0.336	S	S	*	.	H	α-helix	trans	-67.3	-44.9	177	-168.9	-166.3	152	0	0	112	T72 K76 A77 K78	T72-E74 PolarHBondContact O-N 3.48Å; E74-K76 VanDerWaalsContact C-N 3.34Å; E74-K76 PolarHBondContact O-N 2.93Å; E74-A77 WeakPolarHBondContact O-CB 3.49Å; E74-A77 PolarHBondContact O-N 3.04Å; E74-K78 PolarHBondContact O-N 2.92Å; E74-K78 VanDerWaalsContact OE1-CE 3.32Å; E74-K78 WeakPolarHBondContact OE1-CE 3.34Å; E74-K78 IonicContact OE1-NZ 2.71Å; E74-K78 PolarHBondContact OE1-NZ 2.82Å
75	Q	92.1	Very high	91.4	Very high	65 Å²	65	67 Å²	67	30%	0.304	36%	0.355	S	S	.	.	H	α-helix	trans	-65.1	-37.8	177.9	-72.1	166.4	-41.4	0	0	111.8	L71 T72 K78 A79 Y84	L71-Q75 HydrophobicContact CB-CB 3.93Å; L71-Q75 HydrophobicContact CD1-CB 4.42Å; L71-Q75 HydrophobicContact CD2-CB 4.2Å; L71-Q75 HydrophobicContact CG-CB 4.4Å; T72-Q75 PolarHBondContact O-N 2.82Å; T72-Q75 VanDerWaalsContact O-N 3.14Å; T72-Q75 WeakPolarHBondContact OG1-CB 3.5Å; T72-Q75 VanDerWaalsContact OG1-CG 3.29Å; T72-Q75 WeakPolarHBondContact OG1-CG 3.23Å; T72-Q75 PolarHBondContact OG1-N 2.81Å; T72-Q75 PolarHBondContact OG1-OE1 2.95Å; Q75-K78 PolarHBondContact O-N 2.81Å; Q75-A79 WeakPolarHBondContact O-CB 3.31Å; Q75-A79 PolarHBondContact O-N 3.1Å; Q75-Y84 HydrophobicContact CB-CD2 4.01Å; Q75-Y84 HydrophobicContact CB-CE2 3.91Å; Q75-Y84 HydrophobicContact CG-CD2 4.2Å; Q75-Y84 HydrophobicContact CG-CE2 3.83Å
76	K	89.6	Confident	91.3	Very high	70 Å²	70	65.3 Å²	65.3	30%	0.304	35%	0.345	S	S	.	.	H	α-helix	trans	-61	-44.2	172.1	-72.6	-170	179.1	-166.9	0	111.4	L71 T72 E74 K78 A79 L80	L71-K76 HydrophobicContact CB-CG 3.53Å; L71-K76 HydrophobicContact CD1-CG 4.32Å; L71-K76 WeakPolarHBondContact O-CE 3.44Å; T72-K76 WeakPolarHBondContact O-CG 3.33Å; T72-K76 PolarHBondContact O-N 3.04Å; E74-K76 VanDerWaalsContact C-N 3.34Å; E74-K76 PolarHBondContact O-N 2.93Å; K76-K78 VanDerWaalsContact C-N 3.26Å; K76-K78 PolarHBondContact O-N 2.92Å; K76-A79 PolarHBondContact O-N 3.44Å; K76-A79 VanDerWaalsContact O-N 3.14Å; K76-L80 WeakPolarHBondContact O-CG 3.39Å; K76-L80 PolarHBondContact O-N 2.91Å
77	A	90.9	Very high	91.1	Very high	47 Å²	47	62.2 Å²	62.2	39%	0.388	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-34.2	176.6	0	0	0	0	0	112.5	A73 E74 K81	A73-A77 PolarHBondContact O-N 3.41Å; E74-A77 WeakPolarHBondContact O-CB 3.49Å; E74-A77 PolarHBondContact O-N 3.04Å; A77-K81 WeakPolarHBondContact O-CG 3.21Å
78	K	90.9	Very high	91	Very high	83 Å²	83	66.3 Å²	66.3	36%	0.361	35%	0.354	S	S	.	.	H	α-helix	trans	-70.4	-43.1	171.4	-71.2	176	-175.8	164.6	0	111.9	E74 Q75 K76 L80 K81 G82 Q83	E74-K78 PolarHBondContact O-N 2.92Å; E74-K78 VanDerWaalsContact OE1-CE 3.32Å; E74-K78 WeakPolarHBondContact OE1-CE 3.34Å; E74-K78 IonicContact OE1-NZ 2.71Å; E74-K78 PolarHBondContact OE1-NZ 2.82Å; Q75-K78 PolarHBondContact O-N 2.81Å; K76-K78 VanDerWaalsContact C-N 3.26Å; K76-K78 PolarHBondContact O-N 2.92Å; K78-L80 PolarHBondContact O-N 3.47Å; K78-K81 CarbonylContact O-C 3.53Å; K78-K81 PolarHBondContact O-N 3.41Å; K78-K81 VanDerWaalsContact O-N 3.08Å; K78-G82 PolarHBondContact O-N 3.16Å; K78-Q83 HydrophobicContact CB-CB 4.2Å; K78-Q83 WeakPolarHBondContact O-CA 3.31Å; K78-Q83 PolarHBondContact O-N 3.46Å
79	A	89.1	Confident	90.9	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-44.8	179.6	0	0	0	0	0	112	L71 Q75 K76 K81 G82 Y84 F86	L71-A79 HydrophobicContact CD1-CB 3.88Å; Q75-A79 WeakPolarHBondContact O-CB 3.31Å; Q75-A79 PolarHBondContact O-N 3.1Å; K76-A79 PolarHBondContact O-N 3.44Å; K76-A79 VanDerWaalsContact O-N 3.14Å; A79-K81 PolarHBondContact O-N 2.99Å; A79-K81 VanDerWaalsContact O-N 3.08Å; A79-G82 PolarHBondContact O-N 3.04Å; A79-Y84 HydrophobicContact CB-CG 4.42Å; A79-F86 HydrophobicContact CB-CE2 4.11Å; A79-F86 HydrophobicContact CB-CZ 3.81Å
80	L	86.5	Confident	90.9	Very high	120 Å²	120	67.9 Å²	67.9	63%	0.628	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.9	175.8	-68.8	173.5	0	0	0	113.6	K76 K78	K76-L80 WeakPolarHBondContact O-CG 3.39Å; K76-L80 PolarHBondContact O-N 2.91Å; K78-L80 PolarHBondContact O-N 3.47Å
81	K	89.7	Confident	91.1	Very high	146 Å²	146	64 Å²	64	64%	0.635	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	3.4	175.3	-63.8	176.7	-176.2	179.4	0	113.1	A77 K78 A79 Q83	A77-K81 WeakPolarHBondContact O-CG 3.21Å; K78-K81 CarbonylContact O-C 3.53Å; K78-K81 PolarHBondContact O-N 3.41Å; K78-K81 VanDerWaalsContact O-N 3.08Å; A79-K81 PolarHBondContact O-N 2.99Å; A79-K81 VanDerWaalsContact O-N 3.08Å; K81-Q83 HydrophobicContact CB-CG 4.07Å; K81-Q83 PolarHBondContact O-N 2.74Å
82	G	86.4	Confident	91.5	Very high	43 Å²	43	63.6 Å²	63.6	44%	0.443	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	19.6	-175.6	0	0	0	0	0	113.8	K78 A79 A193	K78-G82 PolarHBondContact O-N 3.16Å; A79-G82 PolarHBondContact O-N 3.04Å; G82-A193 VanDerWaalsContact N-CB 3.27Å
83	Q	89.8	Confident	91.7	Very high	133 Å²	133	61.4 Å²	61.4	62%	0.621	33%	0.327	S	S	*	.			trans	-104.2	12.6	-175	-64.3	174.7	-12.3	0	0	112.7	K78 K81	K78-Q83 HydrophobicContact CB-CB 4.2Å; K78-Q83 WeakPolarHBondContact O-CA 3.31Å; K78-Q83 PolarHBondContact O-N 3.46Å; K81-Q83 HydrophobicContact CB-CG 4.07Å; K81-Q83 PolarHBondContact O-N 2.74Å
84	Y	90.9	Very high	91.9	Very high	38 Å²	38	59.4 Å²	59.4	15%	0.149	30%	0.304	C	S	.	.	S	Bend	trans	-109.7	124.3	174.9	-173.7	-88.6	0	0	0	109.6	L71 Q75 A79 F86 A91	L71-Y84 HydrophobicContact CD1-CD1 4.48Å; L71-Y84 HydrophobicContact CD2-CE1 3.87Å; L71-Y84 HydrophobicContact CD2-CE2 3.83Å; L71-Y84 VanDerWaalsContact CD2-CZ 3.44Å; L71-Y84 WeakPolarHBondContact CD2-OH 3.34Å; Q75-Y84 HydrophobicContact CB-CD2 4.01Å; Q75-Y84 HydrophobicContact CB-CE2 3.91Å; Q75-Y84 HydrophobicContact CG-CD2 4.2Å; Q75-Y84 HydrophobicContact CG-CE2 3.83Å; A79-Y84 HydrophobicContact CB-CG 4.42Å; Y84-F86 AromaticContact CD1-CD1 3.7Å; Y84-F86 HydrophobicContact CD1-CD1 3.7Å; Y84-F86 AromaticContact CD1-CD2 3.76Å; Y84-F86 HydrophobicContact CD1-CD2 3.76Å; Y84-F86 AromaticContact CD1-CE1 3.64Å; Y84-F86 HydrophobicContact CD1-CE1 3.64Å; Y84-F86 AromaticContact CD1-CE2 3.71Å; Y84-F86 HydrophobicContact CD1-CE2 3.71Å; Y84-F86 AromaticContact CD1-CG 3.75Å; Y84-F86 HydrophobicContact CD1-CG 3.75Å; Y84-F86 AromaticContact CD1-CZ 3.64Å; Y84-F86 HydrophobicContact CD1-CZ 3.64Å; Y84-F86 AromaticContact CE1-CD1 3.67Å; Y84-F86 HydrophobicContact CE1-CD1 3.67Å; Y84-F86 AromaticContact CE1-CE1 3.78Å; Y84-F86 HydrophobicContact CE1-CE1 3.78Å; Y84-F86 HydrophobicContact CE1-CG 4.04Å; Y84-F86 HydrophobicContact CE1-CZ 4.26Å; Y84-F86 HydrophobicContact CG-CE2 4.44Å; Y84-F86 HydrophobicContact CG-CZ 4.42Å; Y84-F86 WeakPolarHBondContact O-CD2 3.21Å; Y84-F86 PolarHBondContact O-N 3.38Å; Y84-A91 HydrophobicContact CE1-CB 4.13Å
85	N	92	Very high	92.1	Very high	75 Å²	75	59.1 Å²	59.1	40%	0.401	31%	0.307	S	S	.	.			trans	-85.9	100.8	178.7	-173.8	1.1	0	0	0	110.4	D87 H88	N85-D87 VanDerWaalsContact C-N 3.29Å; N85-D87 WeakPolarHBondContact OD1-CA 3.33Å; N85-D87 WeakPolarHBondContact OD1-CB 3.37Å; N85-D87 PolarHBondContact OD1-N 3.39Å; N85-H88 HydrophobicContact CB-CB 4.35Å; N85-H88 PolarHBondContact OD1-N 3.15Å
86	F	91.3	Very high	92.3	Very high	9 Å²	9	57.7 Å²	57.7	4%	0.039	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.1	175.2	-68.8	-83.1	0	0	0	113.6	Y68 L71 A79 Y84 H88 A91 H120 P196	Y68-F86 HydrophobicContact CD1-CD1 4.24Å; Y68-F86 HydrophobicContact CE1-CB 4.04Å; Y68-F86 HydrophobicContact CE1-CD1 4.04Å; Y68-F86 WeakPolarHBondContact CE1-O 3.36Å; L71-F86 HydrophobicContact CD1-CE1 4.11Å; L71-F86 HydrophobicContact CD1-CZ 4.1Å; A79-F86 HydrophobicContact CB-CE2 4.11Å; A79-F86 HydrophobicContact CB-CZ 3.81Å; Y84-F86 AromaticContact CD1-CD1 3.7Å; Y84-F86 HydrophobicContact CD1-CD1 3.7Å; Y84-F86 AromaticContact CD1-CD2 3.76Å; Y84-F86 HydrophobicContact CD1-CD2 3.76Å; Y84-F86 AromaticContact CD1-CE1 3.64Å; Y84-F86 HydrophobicContact CD1-CE1 3.64Å; Y84-F86 AromaticContact CD1-CE2 3.71Å; Y84-F86 HydrophobicContact CD1-CE2 3.71Å; Y84-F86 AromaticContact CD1-CG 3.75Å; Y84-F86 HydrophobicContact CD1-CG 3.75Å; Y84-F86 AromaticContact CD1-CZ 3.64Å; Y84-F86 HydrophobicContact CD1-CZ 3.64Å; Y84-F86 AromaticContact CE1-CD1 3.67Å; Y84-F86 HydrophobicContact CE1-CD1 3.67Å; Y84-F86 AromaticContact CE1-CE1 3.78Å; Y84-F86 HydrophobicContact CE1-CE1 3.78Å; Y84-F86 HydrophobicContact CE1-CG 4.04Å; Y84-F86 HydrophobicContact CE1-CZ 4.26Å; Y84-F86 HydrophobicContact CG-CE2 4.44Å; Y84-F86 HydrophobicContact CG-CZ 4.42Å; Y84-F86 WeakPolarHBondContact O-CD2 3.21Å; Y84-F86 PolarHBondContact O-N 3.38Å; F86-H88 PolarHBondContact O-N 3.4Å; F86-A91 WeakPolarHBondContact O-CB 3.41Å; F86-H120 AromaticContact CE1-ND1 3.87Å; F86-H120 AromaticContact CZ-CE1 3.57Å; F86-H120 AromaticContact CZ-CG 3.99Å; F86-H120 AromaticContact CZ-ND1 3.38Å; F86-H120 WeakPolarHBondContact CZ-ND1 3.36Å; F86-P196 HydrophobicContact CB-CB 3.32Å; F86-P196 HydrophobicContact CD2-CB 4.39Å; F86-P196 HydrophobicContact CG-CB 4.01Å
87	D	92	Very high	92.7	Very high	17 Å²	17	54.4 Å²	54.4	9%	0.091	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.8	176.7	-52	-39.7	0	0	0	111.8	N85 I140 L141 G197 H198	N85-D87 VanDerWaalsContact C-N 3.29Å; N85-D87 WeakPolarHBondContact OD1-CA 3.33Å; N85-D87 WeakPolarHBondContact OD1-CB 3.37Å; N85-D87 PolarHBondContact OD1-N 3.39Å; D87-I140 HydrophobicContact CB-CD1 4.21Å; D87-L141 WeakPolarHBondContact O-CD1 3.42Å; D87-G197 PolarHBondContact OD1-N 3.31Å; D87-G197 WeakPolarHBondContact OD2-CA 3.44Å; D87-G197 PolarHBondContact OD2-N 3.14Å; D87-G197 VanDerWaalsContact OD2-N 3.16Å; D87-H198 PolarHBondContact OD2-N 3.35Å
88	H	94.5	Very high	93	Very high	86 Å²	86	54.8 Å²	54.8	40%	0.398	28%	0.28	S	S	.	.	S	Bend	trans	-76.9	139.1	176	-164.1	-94.8	0	0	0	110.4	N85 F86 D90 A91	N85-H88 HydrophobicContact CB-CB 4.35Å; N85-H88 PolarHBondContact OD1-N 3.15Å; F86-H88 PolarHBondContact O-N 3.4Å; H88-D90 IonicContact CE1-OD2 2.79Å; H88-D90 PolarHBondContact CE1-OD2 2.7Å; H88-D90 WeakPolarHBondContact ND1-CB 3.33Å; H88-D90 PolarHBondContact ND1-N 3.26Å; H88-D90 IonicContact ND1-OD2 3.83Å; H88-D90 PolarHBondContact ND1-OD2 3.39Å; H88-D90 PolarHBondContact O-N 3.35Å; H88-A91 VanDerWaalsContact O-CB 3.23Å; H88-A91 WeakPolarHBondContact O-CB 3.14Å; H88-A91 PolarHBondContact O-N 3.07Å
89	P	93.9	Very high	93.4	Very high	16 Å²	16	57.8 Å²	57.8	10%	0.104	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-51.7	-32	177.3	-27.4	32.2	0	0	0	114.5	A91 F92 N94 L141 Y144	P89-A91 PolarHBondContact O-N 2.94Å; P89-F92 PolarHBondContact O-N 3.47Å; P89-N94 PolarHBondContact O-ND2 3.42Å; P89-N94 VanDerWaalsContact O-ND2 3.13Å; P89-L141 HydrophobicContact CB-CD1 4.39Å; P89-L141 HydrophobicContact CG-CD1 4.05Å; P89-Y144 HydrophobicContact CB-CD1 3.81Å; P89-Y144 HydrophobicContact CB-CE1 3.47Å; P89-Y144 VanDerWaalsContact CB-CE1 3.47Å; P89-Y144 HydrophobicContact CB-CE2 4.46Å; P89-Y144 HydrophobicContact CB-CG 4.44Å; P89-Y144 HydrophobicContact CG-CD1 3.95Å; P89-Y144 HydrophobicContact CG-CD2 4.02Å; P89-Y144 HydrophobicContact CG-CE1 3.56Å; P89-Y144 HydrophobicContact CG-CE2 3.62Å; P89-Y144 HydrophobicContact CG-CG 4.17Å
90	D	93.9	Very high	93.8	Very high	98 Å²	98	58.1 Å²	58.1	52%	0.524	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-71.9	-14.7	178.5	-65.7	-24.5	0	0	0	114.2	K69 H88 F92	K69-D90 WeakPolarHBondContact CD-O 3.26Å; K69-D90 WeakPolarHBondContact CE-O 3.43Å; K69-D90 PolarHBondContact NZ-O 3.11Å; H88-D90 IonicContact CE1-OD2 2.79Å; H88-D90 PolarHBondContact CE1-OD2 2.7Å; H88-D90 WeakPolarHBondContact ND1-CB 3.33Å; H88-D90 PolarHBondContact ND1-N 3.26Å; H88-D90 IonicContact ND1-OD2 3.83Å; H88-D90 PolarHBondContact ND1-OD2 3.39Å; H88-D90 PolarHBondContact O-N 3.35Å; D90-F92 PolarHBondContact O-N 3.25Å
91	A	95.4	Very high	94.3	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.008	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-68.4	-21	173.2	0	0	0	0	0	111.8	Y68 K69 Y84 F86 H88 P89	Y68-A91 HydrophobicContact CD1-CB 4.12Å; Y68-A91 HydrophobicContact CE1-CB 4.05Å; K69-A91 PolarHBondContact N-O 2.73Å; Y84-A91 HydrophobicContact CE1-CB 4.13Å; F86-A91 WeakPolarHBondContact O-CB 3.41Å; H88-A91 VanDerWaalsContact O-CB 3.23Å; H88-A91 WeakPolarHBondContact O-CB 3.14Å; H88-A91 PolarHBondContact O-N 3.07Å; P89-A91 PolarHBondContact O-N 2.94Å
92	F	96.8	Very high	94.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-95.8	142.5	179.9	-58.2	-86	0	0	0	112	Q64 Y68 K69 P89 D90 N94 I140 L141	Q64-F92 HydrophobicContact CG-CD1 3.83Å; Q64-F92 HydrophobicContact CG-CE1 3.81Å; Y68-F92 HydrophobicContact CD1-CD1 4.22Å; Y68-F92 HydrophobicContact CD1-CE1 4.01Å; Y68-F92 HydrophobicContact CD1-CZ 4.35Å; Y68-F92 HydrophobicContact CD2-CE1 4.49Å; Y68-F92 HydrophobicContact CE1-CD1 4.2Å; Y68-F92 AromaticContact CE1-CE1 3.59Å; Y68-F92 HydrophobicContact CE1-CE1 3.59Å; Y68-F92 HydrophobicContact CE1-CE2 4.13Å; Y68-F92 AromaticContact CE1-CZ 3.54Å; Y68-F92 HydrophobicContact CE1-CZ 3.54Å; Y68-F92 HydrophobicContact CE2-CE1 4.08Å; Y68-F92 HydrophobicContact CE2-CZ 4.47Å; Y68-F92 HydrophobicContact CG-CE1 4.42Å; Y68-F92 AromaticContact CZ-CE1 3.61Å; Y68-F92 AromaticContact CZ-CZ 3.6Å; Y68-F92 WeakPolarHBondContact OH-CZ 3.33Å; K69-F92 WeakPolarHBondContact CE-O 3.32Å; P89-F92 PolarHBondContact O-N 3.47Å; D90-F92 PolarHBondContact O-N 3.25Å; F92-N94 VanDerWaalsContact C-N 3.29Å; F92-N94 PolarHBondContact O-N 3.32Å; F92-N94 VanDerWaalsContact O-N 3.1Å; F92-N94 PolarHBondContact O-ND2 2.97Å; F92-I140 HydrophobicContact CE2-CD1 4.32Å; F92-I140 HydrophobicContact CZ-CD1 4Å; F92-I140 HydrophobicContact CZ-CG1 4.06Å; F92-L141 HydrophobicContact CD2-CD1 4.18Å; F92-L141 HydrophobicContact CE2-CD1 3.81Å
93	D	96.6	Very high	95.2	Very high	31 Å²	31	51.2 Å²	51.2	17%	0.166	25%	0.247	C	C	.	.			trans	-82.3	77.2	171.1	-170	-17	0	0	0	109	F67 K69 D95 L96 M97 R122	F67-D93 WeakPolarHBondContact O-CB 3.46Å; F67-D93 PolarHBondContact O-N 3Å; K69-D93 HydrophobicContact CG-CB 3.97Å; D93-D95 PolarHBondContact O-N 3.21Å; D93-L96 HydrophobicContact CB-CB 4.07Å; D93-L96 PolarHBondContact O-N 3.47Å; D93-L96 VanDerWaalsContact OD1-CB 3.3Å; D93-L96 WeakPolarHBondContact OD1-CB 3.41Å; D93-L96 PolarHBondContact OD1-N 3.17Å; D93-L96 VanDerWaalsContact OD1-N 3.07Å; D93-L96 WeakPolarHBondContact OD2-CB 3.44Å; D93-M97 WeakPolarHBondContact O-CB 3.33Å; D93-M97 PolarHBondContact O-N 2.83Å; D93-R122 IonicContact OD2-CZ 3.15Å; D93-R122 IonicContact OD2-NH1 3.13Å; D93-R122 PolarHBondContact OD2-NH1 3.22Å; D93-R122 VanDerWaalsContact OD2-NH1 3.13Å; D93-R122 IonicContact OD2-NH2 3.37Å; D93-R122 PolarHBondContact OD2-NH2 3.43Å
94	N	95.1	Very high	95.5	Very high	46 Å²	46	45.4 Å²	45.4	25%	0.246	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-32.3	-176	-67.2	-70	0	0	0	112.5	P89 F92 M97 H98	P89-N94 PolarHBondContact O-ND2 3.42Å; P89-N94 VanDerWaalsContact O-ND2 3.13Å; F92-N94 VanDerWaalsContact C-N 3.29Å; F92-N94 PolarHBondContact O-N 3.32Å; F92-N94 VanDerWaalsContact O-N 3.1Å; F92-N94 PolarHBondContact O-ND2 2.97Å; N94-M97 HydrophobicContact CB-CE 4.31Å; N94-M97 PolarHBondContact O-N 3.21Å; N94-M97 WeakPolarHBondContact OD1-CE 3.43Å; N94-H98 VanDerWaalsContact O-CB 3.28Å; N94-H98 WeakPolarHBondContact O-CB 3.3Å; N94-H98 PolarHBondContact O-N 3.42Å
95	D	96.1	Very high	95.7	Very high	117 Å²	117	44.1 Å²	44.1	63%	0.626	22%	0.216	S	C	*	.	H	α-helix	trans	-68.8	-42.2	177.1	-67.4	-29.8	0	0	0	112	D93 R99	D93-D95 PolarHBondContact O-N 3.21Å; D95-R99 WeakPolarHBondContact O-CB 3.47Å; D95-R99 VanDerWaalsContact O-CG 3.27Å; D95-R99 WeakPolarHBondContact O-CG 3.49Å; D95-R99 PolarHBondContact O-N 2.95Å; D95-R99 VanDerWaalsContact O-N 3.12Å; D95-R99 PolarHBondContact O-NE 3.43Å; D95-R99 VanDerWaalsContact O-NE 3.11Å
96	L	97	Very high	95.8	Very high	35 Å²	35	45.1 Å²	45.1	18%	0.183	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-48.4	172.3	-179.6	60.8	0	0	0	110.7	F67 D93 H98 R99 T100 P113	F67-L96 HydrophobicContact CD1-CB 4.38Å; F67-L96 HydrophobicContact CD1-CD2 4.12Å; F67-L96 HydrophobicContact CD1-CG 3.91Å; F67-L96 HydrophobicContact CE1-CG 4.12Å; D93-L96 HydrophobicContact CB-CB 4.07Å; D93-L96 PolarHBondContact O-N 3.47Å; D93-L96 VanDerWaalsContact OD1-CB 3.3Å; D93-L96 WeakPolarHBondContact OD1-CB 3.41Å; D93-L96 PolarHBondContact OD1-N 3.17Å; D93-L96 VanDerWaalsContact OD1-N 3.07Å; D93-L96 WeakPolarHBondContact OD2-CB 3.44Å; L96-H98 PolarHBondContact O-N 3.3Å; L96-R99 PolarHBondContact O-N 2.95Å; L96-T100 WeakPolarHBondContact O-CB 3.13Å; L96-T100 PolarHBondContact O-N 3.38Å; L96-T100 PolarHBondContact O-OG1 2.89Å; L96-T100 VanDerWaalsContact O-OG1 3.04Å; L96-P113 HydrophobicContact CD2-CG 3.99Å
97	M	97.8	Very high	95.9	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-56	-49.9	179.5	179.5	171.3	47.5	0	0	111.9	Q64 F67 D93 N94 T100 L101 F137 I148	Q64-M97 HydrophobicContact CG-SD 3.93Å; F67-M97 HydrophobicContact CB-CB 4.16Å; F67-M97 HydrophobicContact CD1-CB 3.82Å; F67-M97 HydrophobicContact CD2-CB 4.37Å; F67-M97 HydrophobicContact CD2-CG 4.27Å; F67-M97 HydrophobicContact CE1-CB 4.31Å; F67-M97 HydrophobicContact CG-CB 3.84Å; F67-M97 HydrophobicContact CG-CG 4.24Å; D93-M97 WeakPolarHBondContact O-CB 3.33Å; D93-M97 PolarHBondContact O-N 2.83Å; N94-M97 HydrophobicContact CB-CE 4.31Å; N94-M97 PolarHBondContact O-N 3.21Å; N94-M97 WeakPolarHBondContact OD1-CE 3.43Å; M97-T100 PolarHBondContact O-N 2.9Å; M97-L101 HydrophobicContact CG-CD1 4.17Å; M97-L101 WeakPolarHBondContact O-CB 3.3Å; M97-L101 WeakPolarHBondContact O-CG 3.36Å; M97-L101 PolarHBondContact O-N 3.33Å; M97-F137 HydrophobicContact CG-CE1 4.37Å; M97-F137 HydrophobicContact CG-CZ 3.86Å; M97-F137 HydrophobicContact SD-CE1 3.85Å; M97-F137 HydrophobicContact SD-CZ 3.46Å; M97-F137 WeakPolarHBondContact SD-CZ 3.34Å; M97-I148 HydrophobicContact CB-CD1 4.39Å; M97-I148 HydrophobicContact CE-CD1 3.38Å; M97-I148 HydrophobicContact CG-CD1 3.83Å; M97-I148 HydrophobicContact SD-CD1 3.95Å
98	H	97.8	Very high	96.1	Very high	54 Å²	54	49.4 Å²	49.4	25%	0.25	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-46.1	178.5	175.2	-126.9	0	0	0	112	N94 L96 T100 L101 K102 E147 I148	N94-H98 VanDerWaalsContact O-CB 3.28Å; N94-H98 WeakPolarHBondContact O-CB 3.3Å; N94-H98 PolarHBondContact O-N 3.42Å; L96-H98 PolarHBondContact O-N 3.3Å; H98-T100 PolarHBondContact O-N 2.99Å; H98-L101 PolarHBondContact O-N 3.38Å; H98-K102 VanDerWaalsContact O-CB 3.3Å; H98-K102 WeakPolarHBondContact O-CB 3.45Å; H98-K102 PolarHBondContact O-N 3.37Å; H98-E147 IonicContact CE1-OE2 3.45Å; H98-E147 IonicContact ND1-OE2 2.81Å; H98-I148 HydrophobicContact CB-CD1 4.34Å; H98-I148 HydrophobicContact CB-CG1 4.18Å
99	R	98.1	Very high	96.1	Very high	146 Å²	146	49 Å²	49	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-62.3	-42.3	177.3	-75.1	-178	-64.3	179.7	0.7	112.5	D95 L96 K102 N103	D95-R99 WeakPolarHBondContact O-CB 3.47Å; D95-R99 VanDerWaalsContact O-CG 3.27Å; D95-R99 WeakPolarHBondContact O-CG 3.49Å; D95-R99 PolarHBondContact O-N 2.95Å; D95-R99 VanDerWaalsContact O-N 3.12Å; D95-R99 PolarHBondContact O-NE 3.43Å; D95-R99 VanDerWaalsContact O-NE 3.11Å; L96-R99 PolarHBondContact O-N 2.95Å; R99-K102 PolarHBondContact O-N 3.24Å; R99-N103 PolarHBondContact O-N 2.92Å; R99-N103 PolarHBondContact O-ND2 3.07Å
100	T	98	Very high	96.3	Very high	8 Å²	8	48.7 Å²	48.7	5%	0.049	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-49.2	177.5	-64	0	0	0	0	110.9	F67 L96 M97 H98 K102 N103 I104 V110 V112	F67-T100 HydrophobicContact CE1-CG2 4.13Å; F67-T100 HydrophobicContact CZ-CG2 3.9Å; L96-T100 WeakPolarHBondContact O-CB 3.13Å; L96-T100 PolarHBondContact O-N 3.38Å; L96-T100 PolarHBondContact O-OG1 2.89Å; L96-T100 VanDerWaalsContact O-OG1 3.04Å; M97-T100 PolarHBondContact O-N 2.9Å; H98-T100 PolarHBondContact O-N 2.99Å; T100-K102 VanDerWaalsContact C-N 3.29Å; T100-K102 PolarHBondContact O-N 3.23Å; T100-N103 PolarHBondContact O-N 2.91Å; T100-I104 HydrophobicContact CG2-CD1 4.05Å; T100-I104 WeakPolarHBondContact O-CG1 3.26Å; T100-I104 PolarHBondContact O-N 3.3Å; T100-V110 HydrophobicContact CG2-CB 4.32Å; T100-V110 HydrophobicContact CG2-CG2 3.93Å; T100-V112 HydrophobicContact CG2-CG2 4.12Å
101	L	97.5	Very high	96.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-39	176.5	-72.1	173.8	0	0	0	111.9	L25 L62 M97 H98 I104 V105 F137 I148 M151	L25-L101 HydrophobicContact CD1-CD2 4.33Å; L62-L101 HydrophobicContact CD2-CD2 3.93Å; M97-L101 HydrophobicContact CG-CD1 4.17Å; M97-L101 WeakPolarHBondContact O-CB 3.3Å; M97-L101 WeakPolarHBondContact O-CG 3.36Å; M97-L101 PolarHBondContact O-N 3.33Å; H98-L101 PolarHBondContact O-N 3.38Å; L101-I104 WeakPolarHBondContact O-CB 3.47Å; L101-I104 PolarHBondContact O-N 3.13Å; L101-V105 WeakPolarHBondContact O-CG2 3.35Å; L101-V105 PolarHBondContact O-N 2.97Å; L101-F137 HydrophobicContact CD1-CD1 4.16Å; L101-F137 HydrophobicContact CD1-CE1 3.97Å; L101-F137 HydrophobicContact CD1-CZ 4.37Å; L101-F137 HydrophobicContact CD2-CD1 4.46Å; L101-F137 HydrophobicContact CD2-CD2 4.23Å; L101-F137 HydrophobicContact CD2-CG 4.14Å; L101-I148 HydrophobicContact CD1-CG1 4.26Å; L101-I148 HydrophobicContact CD1-CG2 3.68Å; L101-M151 VanDerWaalsContact C-CE 3.5Å; L101-M151 HydrophobicContact CB-CE 3.62Å; L101-M151 HydrophobicContact CB-SD 4.07Å
102	K	97.3	Very high	96.5	Very high	106 Å²	106	50.1 Å²	50.1	46%	0.461	25%	0.246	S	C	.	.	H	α-helix	trans	-63.2	-46.5	178.2	-177.2	178.7	177.3	-179.6	0	111.3	H98 R99 T100 I104 V105 E106 M151	H98-K102 VanDerWaalsContact O-CB 3.3Å; H98-K102 WeakPolarHBondContact O-CB 3.45Å; H98-K102 PolarHBondContact O-N 3.37Å; R99-K102 PolarHBondContact O-N 3.24Å; T100-K102 VanDerWaalsContact C-N 3.29Å; T100-K102 PolarHBondContact O-N 3.23Å; K102-I104 VanDerWaalsContact C-N 3.31Å; K102-I104 PolarHBondContact O-N 2.79Å; K102-V105 PolarHBondContact O-N 3.38Å; K102-E106 WeakPolarHBondContact CE-OE1 3.46Å; K102-E106 WeakPolarHBondContact O-CG 3.16Å; K102-E106 PolarHBondContact O-N 2.67Å; K102-M151 HydrophobicContact CB-CE 4.39Å
103	N	97.2	Very high	96.4	Very high	58 Å²	58	50.8 Å²	50.8	31%	0.31	25%	0.25	S	C	.	.	H	α-helix	trans	-61.7	-39.2	176.1	-75.5	-28.1	0	0	0	112	R99 T100 E106 G107 K108 V110	R99-N103 PolarHBondContact O-N 2.92Å; R99-N103 PolarHBondContact O-ND2 3.07Å; T100-N103 PolarHBondContact O-N 2.91Å; N103-E106 CarbonylContact O-C 3.56Å; N103-E106 PolarHBondContact O-N 2.89Å; N103-G107 PolarHBondContact O-N 2.89Å; N103-K108 HydrophobicContact CB-CB 4.26Å; N103-K108 HydrophobicContact CB-CD 4.23Å; N103-K108 WeakPolarHBondContact O-CB 3.36Å; N103-K108 PolarHBondContact O-N 3Å; N103-V110 HydrophobicContact CB-CG1 3.38Å
104	I	96.1	Very high	96.2	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.051	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-48.2	173.6	-70.9	167.2	0	0	0	110.6	P23 L62 T100 L101 K102 E106 G107 V110 V135	P23-I104 HydrophobicContact CG-CG2 4.27Å; P23-I104 WeakPolarHBondContact CG-O 3.34Å; L62-I104 HydrophobicContact CD2-CD1 3.84Å; T100-I104 HydrophobicContact CG2-CD1 4.05Å; T100-I104 WeakPolarHBondContact O-CG1 3.26Å; T100-I104 PolarHBondContact O-N 3.3Å; L101-I104 WeakPolarHBondContact O-CB 3.47Å; L101-I104 PolarHBondContact O-N 3.13Å; K102-I104 VanDerWaalsContact C-N 3.31Å; K102-I104 PolarHBondContact O-N 2.79Å; I104-E106 PolarHBondContact O-N 2.99Å; I104-G107 WeakPolarHBondContact O-CA 3.5Å; I104-G107 PolarHBondContact O-N 3.25Å; I104-V110 HydrophobicContact CD1-CG2 3.89Å; I104-V110 HydrophobicContact CG1-CG1 4.16Å; I104-V110 HydrophobicContact CG1-CG2 3.61Å; I104-V135 HydrophobicContact CG2-CB 4.47Å; I104-V135 HydrophobicContact CG2-CG1 4.34Å; I104-V135 HydrophobicContact CG2-CG2 3.62Å
105	V	95.2	Very high	96	Very high	12 Å²	12	49.3 Å²	49.3	7%	0.073	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-27.7	177.8	168.3	0	0	0	0	112.4	R22 P23 L25 L101 K102 G107 M151	R22-V105 HydrophobicContact CG-CG1 4.02Å; R22-V105 VanDerWaalsContact CG-O 3.23Å; R22-V105 WeakPolarHBondContact CG-O 3.49Å; R22-V105 VanDerWaalsContact NE-CG1 3.26Å; P23-V105 WeakPolarHBondContact CD-O 3.49Å; L25-V105 HydrophobicContact CD2-CG2 4.02Å; L101-V105 WeakPolarHBondContact O-CG2 3.35Å; L101-V105 PolarHBondContact O-N 2.97Å; K102-V105 PolarHBondContact O-N 3.38Å; V105-G107 PolarHBondContact O-N 3.19Å; V105-M151 HydrophobicContact CB-CE 4.42Å; V105-M151 HydrophobicContact CG2-CE 3.8Å
106	E	95.2	Very high	95.6	Very high	96 Å²	96	45.7 Å²	45.7	45%	0.449	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	3.9	173.6	-69.3	172.6	-173.7	0	0	113.3	K102 N103 I104 K108	K102-E106 WeakPolarHBondContact CE-OE1 3.46Å; K102-E106 WeakPolarHBondContact O-CG 3.16Å; K102-E106 PolarHBondContact O-N 2.67Å; N103-E106 CarbonylContact O-C 3.56Å; N103-E106 PolarHBondContact O-N 2.89Å; I104-E106 PolarHBondContact O-N 2.99Å; E106-K108 VanDerWaalsContact C-N 3.33Å; E106-K108 HydrophobicContact CB-CD 4.34Å; E106-K108 HydrophobicContact CB-CG 4.34Å; E106-K108 VanDerWaalsContact OE2-CE 3.3Å; E106-K108 WeakPolarHBondContact OE2-CE 3.43Å; E106-K108 IonicContact OE2-NZ 3.82Å; E106-K108 PolarHBondContact OE2-NZ 3.23Å
107	G	93.3	Very high	95.1	Very high	16 Å²	16	47.6 Å²	47.6	17%	0.165	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	23.6	178.9	0	0	0	0	0	113.7	N103 I104 V105 P131	N103-G107 PolarHBondContact O-N 2.89Å; I104-G107 WeakPolarHBondContact O-CA 3.5Å; I104-G107 PolarHBondContact O-N 3.25Å; V105-G107 PolarHBondContact O-N 3.19Å; G107-P131 WeakPolarHBondContact O-CG 3.24Å
108	K	95.1	Very high	94.4	Very high	99 Å²	99	53.3 Å²	53.3	43%	0.43	27%	0.265	S	S	.	.			trans	-91.4	143.8	178.8	-62.3	171.3	176.3	164.3	0	111	N103 E106	N103-K108 HydrophobicContact CB-CB 4.26Å; N103-K108 HydrophobicContact CB-CD 4.23Å; N103-K108 WeakPolarHBondContact O-CB 3.36Å; N103-K108 PolarHBondContact O-N 3Å; E106-K108 VanDerWaalsContact C-N 3.33Å; E106-K108 HydrophobicContact CB-CD 4.34Å; E106-K108 HydrophobicContact CB-CG 4.34Å; E106-K108 VanDerWaalsContact OE2-CE 3.3Å; E106-K108 WeakPolarHBondContact OE2-CE 3.43Å; E106-K108 IonicContact OE2-NZ 3.82Å; E106-K108 PolarHBondContact OE2-NZ 3.23Å
109	T	95.6	Very high	93.7	Very high	77 Å²	77	54 Å²	54	47%	0.472	27%	0.272	S	S	.	.			trans	-64.5	131.9	163.8	-54	0	0	0	0	109.3	V128 V129 Y130	T109-V128 HydrophobicContact CG2-CG1 3.46Å; T109-V128 VanDerWaalsContact CG2-CG1 3.46Å; T109-V129 WeakPolarHBondContact CA-O 3.27Å; T109-Y130 HydrophobicContact CG2-CD1 3.95Å; T109-Y130 HydrophobicContact CG2-CE1 4.08Å
110	V	96.8	Very high	93.1	Very high	10 Å²	10	47.5 Å²	47.5	6%	0.061	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.1	-179.9	-61.1	0	0	0	0	111.5	T100 N103 I104 V112 V129	T100-V110 HydrophobicContact CG2-CB 4.32Å; T100-V110 HydrophobicContact CG2-CG2 3.93Å; N103-V110 HydrophobicContact CB-CG1 3.38Å; I104-V110 HydrophobicContact CD1-CG2 3.89Å; I104-V110 HydrophobicContact CG1-CG1 4.16Å; I104-V110 HydrophobicContact CG1-CG2 3.61Å; V110-V112 HydrophobicContact CG2-CG2 4.03Å; V110-V129 HydrophobicContact CG2-CB 3.83Å; V110-V129 HydrophobicContact CG2-CG1 4.42Å; V110-V129 PolarHBondContact N-O 2.66Å; V110-V129 PolarHBondContact O-N 3.45Å
111	E	96.8	Very high	92.6	Very high	129 Å²	129	48.3 Å²	48.3	60%	0.603	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.5	166.7	-69.2	-171.5	-166.2	0	0	109.5	T126 V128	E111-T126 HydrophobicContact CB-CG2 4.32Å; E111-T126 PolarHBondContact OE2-OG1 3.25Å; E111-V128 HydrophobicContact CG-CG2 4.48Å
112	V	96.3	Very high	92.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131	179.6	-173.7	0	0	0	0	108.7	L62 R66 F67 T100 V110 T126 T127 V129	L62-V112 HydrophobicContact CD1-CB 4.28Å; L62-V112 HydrophobicContact CD1-CG1 3.57Å; L62-V112 HydrophobicContact CD1-CG2 3.84Å; R66-V112 HydrophobicContact CB-CG1 4.04Å; F67-V112 HydrophobicContact CE2-CG1 4.39Å; F67-V112 HydrophobicContact CZ-CG1 3.97Å; T100-V112 HydrophobicContact CG2-CG2 4.12Å; V110-V112 HydrophobicContact CG2-CG2 4.03Å; V112-T126 CarbonylContact O-C 3.59Å; V112-T126 WeakPolarHBondContact O-CA 3.14Å; V112-T126 WeakPolarHBondContact O-CB 3.39Å; V112-T127 PolarHBondContact N-O 3.03Å; V112-T127 PolarHBondContact O-N 3.15Å; V112-V129 HydrophobicContact CB-CG2 4.49Å; V112-V129 HydrophobicContact CG2-CB 4.31Å; V112-V129 HydrophobicContact CG2-CG2 3.57Å
113	P	95.7	Very high	92	Very high	13 Å²	13	49.5 Å²	49.5	8%	0.084	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	154.8	176.8	25.5	-36.7	0	0	0	112.6	R66 L96 R122	R66-P113 WeakPolarHBondContact CB-O 3.4Å; R66-P113 WeakPolarHBondContact CD-O 3.4Å; R66-P113 PolarHBondContact NE-O 3.43Å; R66-P113 WeakPolarHBondContact O-CG 3.19Å; L96-P113 HydrophobicContact CD2-CG 3.99Å; P113-R122 HydrophobicContact CB-CG 4.43Å
114	T	92.4	Very high	91.7	Very high	31 Å²	31	52.3 Å²	52.3	19%	0.19	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.5	166.1	-50.1	0	0	0	0	108.1	R122 L123 E125	T114-R122 WeakPolarHBondContact O-CA 3.48Å; T114-L123 HydrophobicContact CG2-CD1 3.86Å; T114-L123 PolarHBondContact O-N 3.37Å; T114-E125 WeakPolarHBondContact CB-O 3.5Å; T114-E125 PolarHBondContact OG1-O 3.13Å
115	Y	91.1	Very high	91.5	Very high	15 Å²	15	57.8 Å²	57.8	6%	0.059	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.7	179.4	-169.8	-100.4	0	0	0	110.3	Y68 F117 H120 S121 R122	Y68-Y115 AromaticContact CD2-CD1 3.83Å; Y68-Y115 HydrophobicContact CD2-CD1 3.83Å; Y68-Y115 AromaticContact CD2-CE1 3.84Å; Y68-Y115 HydrophobicContact CD2-CE1 3.84Å; Y68-Y115 HydrophobicContact CD2-CG 4.29Å; Y68-Y115 HydrophobicContact CG-CD1 4.34Å; Y68-Y115 HydrophobicContact CG-CE1 4.08Å; Y68-Y115 HydrophobicContact CG-CE2 4.35Å; Y115-F117 AromaticContact CD1-CD1 3.97Å; Y115-F117 HydrophobicContact CD1-CD1 3.97Å; Y115-F117 HydrophobicContact CD1-CD2 4.29Å; Y115-F117 HydrophobicContact CD1-CE1 4.1Å; Y115-F117 HydrophobicContact CD1-CE2 4.4Å; Y115-F117 HydrophobicContact CD1-CG 4.11Å; Y115-F117 HydrophobicContact CD1-CZ 4.34Å; Y115-F117 AromaticContact CE1-CD1 3.98Å; Y115-F117 HydrophobicContact CE1-CD1 3.98Å; Y115-F117 HydrophobicContact CE1-CE1 4.38Å; Y115-F117 HydrophobicContact CE1-CG 4.32Å; Y115-H120 WeakPolarHBondContact OH-CA 3.45Å; Y115-S121 WeakPolarHBondContact CD2-O 3.43Å; Y115-R122 HydrophobicContact CD2-CG 4.2Å
116	D	88.1	Confident	91.4	Very high	41 Å²	41	60 Å²	60	22%	0.219	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.5	173.3	176.8	7.6	0	0	0	109.7	V118 T119 H120 S121 L123	D116-V118 VanDerWaalsContact C-N 3.31Å; D116-V118 PolarHBondContact O-N 3.25Å; D116-V118 WeakPolarHBondContact OD1-CB 3.38Å; D116-V118 PolarHBondContact OD1-N 3.31Å; D116-T119 WeakPolarHBondContact CB-OG1 2.99Å; D116-T119 WeakPolarHBondContact OD2-CB 3.41Å; D116-T119 WeakPolarHBondContact OD2-CG2 3.39Å; D116-T119 PolarHBondContact OD2-OG1 3.46Å; D116-H120 WeakPolarHBondContact O-CA 3.28Å; D116-H120 PolarHBondContact O-N 2.86Å; D116-S121 PolarHBondContact N-O 3.25Å; D116-S121 PolarHBondContact O-N 3.12Å; D116-L123 HydrophobicContact CB-CD2 3.89Å; D116-L123 HydrophobicContact CB-CG 4.13Å
117	F	85.1	Confident	91.3	Very high	75 Å²	75	57.2 Å²	57.2	33%	0.329	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.5	-179.5	-64.3	-90.2	0	0	0	113.3	D65 Y68 Y115 H120 P196	D65-F117 HydrophobicContact CB-CE1 4.34Å; D65-F117 HydrophobicContact CB-CZ 3.73Å; Y68-F117 HydrophobicContact CD2-CE1 4.19Å; Y68-F117 AromaticContact CE2-CE1 3.85Å; Y68-F117 HydrophobicContact CE2-CE1 3.85Å; Y115-F117 AromaticContact CD1-CD1 3.97Å; Y115-F117 HydrophobicContact CD1-CD1 3.97Å; Y115-F117 HydrophobicContact CD1-CD2 4.29Å; Y115-F117 HydrophobicContact CD1-CE1 4.1Å; Y115-F117 HydrophobicContact CD1-CE2 4.4Å; Y115-F117 HydrophobicContact CD1-CG 4.11Å; Y115-F117 HydrophobicContact CD1-CZ 4.34Å; Y115-F117 AromaticContact CE1-CD1 3.98Å; Y115-F117 HydrophobicContact CE1-CD1 3.98Å; Y115-F117 HydrophobicContact CE1-CE1 4.38Å; Y115-F117 HydrophobicContact CE1-CG 4.32Å; F117-H120 PolarHBondContact O-CE1 3.1Å; F117-H120 PolarHBondContact O-ND1 3.36Å; F117-P196 HydrophobicContact CE1-CG 4.48Å
118	V	83.9	Confident	91.4	Very high	123 Å²	123	58.6 Å²	58.6	75%	0.745	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-44.2	179.1	-178.3	0	0	0	0	110.1	D116	D116-V118 VanDerWaalsContact C-N 3.31Å; D116-V118 PolarHBondContact O-N 3.25Å; D116-V118 WeakPolarHBondContact OD1-CB 3.38Å; D116-V118 PolarHBondContact OD1-N 3.31Å
119	T	83.4	Confident	91.4	Very high	67 Å²	67	55 Å²	55	41%	0.411	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-2	-178.3	62.6	0	0	0	0	113.8	D116 S121	D116-T119 WeakPolarHBondContact CB-OG1 2.99Å; D116-T119 WeakPolarHBondContact OD2-CB 3.41Å; D116-T119 WeakPolarHBondContact OD2-CG2 3.39Å; D116-T119 PolarHBondContact OD2-OG1 3.46Å; T119-S121 PolarHBondContact O-N 3.29Å; T119-S121 PolarHBondContact OG1-OG 3.47Å
120	H	85	Confident	91.3	Very high	11 Å²	11	53.9 Å²	53.9	5%	0.051	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	47.8	-173.3	-57.1	-59.2	0	0	0	112	L71 F86 Y115 D116 F117	L71-H120 HydrophobicContact CD1-CB 3.87Å; L71-H120 HydrophobicContact CG-CB 4.43Å; F86-H120 AromaticContact CE1-ND1 3.87Å; F86-H120 AromaticContact CZ-CE1 3.57Å; F86-H120 AromaticContact CZ-CG 3.99Å; F86-H120 AromaticContact CZ-ND1 3.38Å; F86-H120 WeakPolarHBondContact CZ-ND1 3.36Å; Y115-H120 WeakPolarHBondContact OH-CA 3.45Å; D116-H120 WeakPolarHBondContact O-CA 3.28Å; D116-H120 PolarHBondContact O-N 2.86Å; F117-H120 PolarHBondContact O-CE1 3.1Å; F117-H120 PolarHBondContact O-ND1 3.36Å
121	S	87.2	Confident	91.2	Very high	25 Å²	25	55.4 Å²	55.4	18%	0.175	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	161.3	-172.6	78.9	0	0	0	0	112.4	Y115 D116 T119	Y115-S121 WeakPolarHBondContact CD2-O 3.43Å; D116-S121 PolarHBondContact N-O 3.25Å; D116-S121 PolarHBondContact O-N 3.12Å; T119-S121 PolarHBondContact O-N 3.29Å; T119-S121 PolarHBondContact OG1-OG 3.47Å
122	R	90.8	Very high	91	Very high	65 Å²	65	49.8 Å²	49.8	25%	0.245	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.2	170.9	-71.3	-179.4	-172.7	164.5	1.3	109	Y68 V70 D93 P113 T114 Y115	Y68-R122 PolarHBondContact O-NE 2.88Å; Y68-R122 PolarHBondContact O-NH2 3.42Å; V70-R122 HydrophobicContact CG2-CB 4.05Å; V70-R122 HydrophobicContact CG2-CG 3.83Å; D93-R122 IonicContact OD2-CZ 3.15Å; D93-R122 IonicContact OD2-NH1 3.13Å; D93-R122 PolarHBondContact OD2-NH1 3.22Å; D93-R122 VanDerWaalsContact OD2-NH1 3.13Å; D93-R122 IonicContact OD2-NH2 3.37Å; D93-R122 PolarHBondContact OD2-NH2 3.43Å; P113-R122 HydrophobicContact CB-CG 4.43Å; T114-R122 WeakPolarHBondContact O-CA 3.48Å; Y115-R122 HydrophobicContact CD2-CG 4.2Å
123	L	91.5	Very high	90.9	Very high	66 Å²	66	53.5 Å²	53.5	35%	0.346	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	152.2	172.9	-60	-178.7	0	0	0	110.4	T114 D116 E125	T114-L123 HydrophobicContact CG2-CD1 3.86Å; T114-L123 PolarHBondContact O-N 3.37Å; D116-L123 HydrophobicContact CB-CD2 3.89Å; D116-L123 HydrophobicContact CB-CG 4.13Å; L123-E125 PolarHBondContact O-N 3.11Å
124	P	90.7	Very high	90.9	Very high	117 Å²	117	54.8 Å²	54.8	76%	0.76	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	-32.4	172.3	-22.4	33.6	0	0	0	112.7
125	E	91.8	Very high	91.1	Very high	124 Å²	124	53.3 Å²	53.3	58%	0.579	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.4	-178.7	-56.8	79.1	-170.1	0	0	111.8	T114 L123	T114-E125 WeakPolarHBondContact CB-O 3.5Å; T114-E125 PolarHBondContact OG1-O 3.13Å; L123-E125 PolarHBondContact O-N 3.11Å
126	T	94.5	Very high	91.5	Very high	58 Å²	58	52.7 Å²	52.7	36%	0.356	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	154	172.4	58.7	0	0	0	0	110.8	E111 V112	E111-T126 HydrophobicContact CB-CG2 4.32Å; E111-T126 PolarHBondContact OE2-OG1 3.25Å; V112-T126 CarbonylContact O-C 3.59Å; V112-T126 WeakPolarHBondContact O-CA 3.14Å; V112-T126 WeakPolarHBondContact O-CB 3.39Å
127	T	93.2	Very high	92	Very high	38 Å²	38	50.7 Å²	50.7	23%	0.233	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.4	169.6	-54.7	0	0	0	0	108.7	R66 V112	R66-T127 PolarHBondContact NH2-OG1 3.06Å; V112-T127 PolarHBondContact N-O 3.03Å; V112-T127 PolarHBondContact O-N 3.15Å
128	V	95	Very high	92.6	Very high	46 Å²	46	47.6 Å²	47.6	28%	0.279	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.7	176.6	-175.4	0	0	0	0	109.5	T109 E111 Y130	T109-V128 HydrophobicContact CG2-CG1 3.46Å; T109-V128 VanDerWaalsContact CG2-CG1 3.46Å; E111-V128 HydrophobicContact CG-CG2 4.48Å; V128-Y130 HydrophobicContact CB-CE2 4.2Å; V128-Y130 HydrophobicContact CG1-CD1 4.49Å; V128-Y130 HydrophobicContact CG1-CD2 4.32Å; V128-Y130 HydrophobicContact CG1-CE1 3.96Å; V128-Y130 HydrophobicContact CG1-CE2 3.78Å
129	V	94.4	Very high	93.2	Very high	22 Å²	22	41.8 Å²	41.8	13%	0.133	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.5	173.2	177.7	0	0	0	0	108.4	V60 T109 V110 V112	V60-V129 HydrophobicContact CG2-CG1 4.21Å; T109-V129 WeakPolarHBondContact CA-O 3.27Å; V110-V129 HydrophobicContact CG2-CB 3.83Å; V110-V129 HydrophobicContact CG2-CG1 4.42Å; V110-V129 PolarHBondContact N-O 2.66Å; V110-V129 PolarHBondContact O-N 3.45Å; V112-V129 HydrophobicContact CB-CG2 4.49Å; V112-V129 HydrophobicContact CG2-CB 4.31Å; V112-V129 HydrophobicContact CG2-CG2 3.57Å
130	Y	94	Very high	93.8	Very high	55 Å²	55	39.8 Å²	39.8	22%	0.216	22%	0.218	C	C	.	.			trans	-83.1	158.9	176.5	-63.4	-81.6	0	0	0	110.9	R55 T109 V128 A132	R55-Y130 HydrophobicContact CB-CD2 4.29Å; R55-Y130 HydrophobicContact CB-CE2 4.37Å; R55-Y130 HydrophobicContact CG-CD1 4.2Å; R55-Y130 HydrophobicContact CG-CD2 3.63Å; R55-Y130 HydrophobicContact CG-CE1 3.9Å; R55-Y130 HydrophobicContact CG-CE2 3.27Å; R55-Y130 HydrophobicContact CG-CG 4.08Å; R55-Y130 VanDerWaalsContact CG-CZ 3.43Å; R55-Y130 PolarHBondContact NE-OH 2.9Å; R55-Y130 PolarHBondContact NH2-OH 3.44Å; R55-Y130 VanDerWaalsContact NH2-OH 3.11Å; T109-Y130 HydrophobicContact CG2-CD1 3.95Å; T109-Y130 HydrophobicContact CG2-CE1 4.08Å; V128-Y130 HydrophobicContact CB-CE2 4.2Å; V128-Y130 HydrophobicContact CG1-CD1 4.49Å; V128-Y130 HydrophobicContact CG1-CD2 4.32Å; V128-Y130 HydrophobicContact CG1-CE1 3.96Å; V128-Y130 HydrophobicContact CG1-CE2 3.78Å; Y130-A132 PolarHBondContact O-N 2.88Å
131	P	93.7	Very high	94.4	Very high	41 Å²	41	41.1 Å²	41.1	27%	0.266	23%	0.226	S	C	.	.			trans	-54.2	135.1	173.8	-25.7	36.3	0	0	0	111.2	G107	G107-P131 WeakPolarHBondContact O-CG 3.24Å
132	A	93.2	Very high	94.9	Very high	12 Å²	12	40 Å²	40	10%	0.099	22%	0.218	C	C	.	.			trans	-133.9	158.6	-176.1	0	0	0	0	0	110	P23 V60 Y130 V135	P23-A132 WeakPolarHBondContact CB-O 3.38Å; V60-A132 HydrophobicContact CB-CB 4.41Å; V60-A132 HydrophobicContact CG1-CB 3.84Å; V60-A132 HydrophobicContact CG2-CB 3.79Å; Y130-A132 PolarHBondContact O-N 2.88Å; A132-V135 HydrophobicContact CB-CG2 4.42Å
133	D	94.2	Very high	95.2	Very high	79 Å²	79	38.8 Å²	38.8	42%	0.422	21%	0.214	S	C	.	.	S	Bend	trans	-76.4	-34	176.6	-63.8	-31.8	0	0	0	111	P23 F24 K58	P23-D133 WeakPolarHBondContact CA-O 3.44Å; F24-D133 PolarHBondContact N-O 3.11Å; K58-D133 HydrophobicContact CB-CB 4.41Å; K58-D133 WeakPolarHBondContact CD-OD2 3.3Å; K58-D133 PolarHBondContact O-N 3.48Å
134	V	96.1	Very high	95.5	Very high	39 Å²	39	42.7 Å²	42.7	24%	0.236	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.3	-179.4	-176.6	0	0	0	0	110.1	F24 I26 K58 V59 V60 L136	F24-V134 HydrophobicContact CB-CG2 4.37Å; F24-V134 WeakPolarHBondContact O-CA 3.46Å; I26-V134 HydrophobicContact CD1-CG1 3.91Å; I26-V134 HydrophobicContact CG1-CG1 4.34Å; K58-V134 PolarHBondContact O-N 2.93Å; V59-V134 WeakPolarHBondContact CA-O 3.48Å; V59-V134 HydrophobicContact CB-CB 4.48Å; V59-V134 HydrophobicContact CG1-CB 4.14Å; V59-V134 HydrophobicContact CG1-CG1 4.19Å; V59-V134 HydrophobicContact CG2-CB 4.12Å; V60-V134 PolarHBondContact N-O 3.04Å; V134-L136 HydrophobicContact CG1-CD2 4.34Å
135	V	97.2	Very high	95.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117.1	178.3	176.4	0	0	0	0	108.5	P23 F24 L25 I26 V60 I104 A132	P23-V135 HydrophobicContact CB-CG2 4.01Å; F24-V135 PolarHBondContact O-N 3.38Å; F24-V135 VanDerWaalsContact O-N 3.08Å; L25-V135 HydrophobicContact CD1-CB 3.47Å; L25-V135 VanDerWaalsContact CD1-CB 3.47Å; L25-V135 HydrophobicContact CD1-CG1 3.41Å; L25-V135 VanDerWaalsContact CD1-CG1 3.41Å; L25-V135 HydrophobicContact CD1-CG2 4.36Å; I26-V135 PolarHBondContact N-O 2.81Å; V60-V135 HydrophobicContact CG2-CB 4.15Å; V60-V135 HydrophobicContact CG2-CG1 4.13Å; V60-V135 HydrophobicContact CG2-CG2 3.66Å; I104-V135 HydrophobicContact CG2-CB 4.47Å; I104-V135 HydrophobicContact CG2-CG1 4.34Å; I104-V135 HydrophobicContact CG2-CG2 3.62Å; A132-V135 HydrophobicContact CB-CG2 4.42Å
136	L	97.9	Very high	95.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	107.3	173.7	-57.5	179.4	0	0	0	108.3	I26 C40 I43 V59 V60 I61 L62 V134	I26-L136 HydrophobicContact CB-CD2 3.88Å; I26-L136 HydrophobicContact CD1-CD2 3.85Å; I26-L136 HydrophobicContact CG1-CD2 4.28Å; I26-L136 HydrophobicContact CG2-CD2 4.23Å; C40-L136 HydrophobicContact CB-CD1 4.24Å; I43-L136 HydrophobicContact CB-CD1 4.18Å; I43-L136 HydrophobicContact CD1-CD1 4.46Å; I43-L136 HydrophobicContact CG2-CD1 3.93Å; V59-L136 HydrophobicContact CG1-CD1 4.08Å; V59-L136 HydrophobicContact CG1-CG 4.07Å; V60-L136 PolarHBondContact O-N 3.4Å; I61-L136 CarbonylContact C-O 3.6Å; I61-L136 WeakPolarHBondContact CA-O 3.23Å; I61-L136 HydrophobicContact CG1-CB 4.17Å; I61-L136 HydrophobicContact CG1-CD1 4.01Å; L62-L136 PolarHBondContact N-O 2.86Å; V134-L136 HydrophobicContact CG1-CD2 4.34Å
137	F	98.3	Very high	96	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	111.4	176.2	-173.6	-120.2	0	0	0	110.6	I26 G27 V28 L62 Q64 F67 M97 L101 V142 I148 F152	I26-F137 PolarHBondContact O-N 3.38Å; G27-F137 CarbonylContact C-O 3.57Å; G27-F137 WeakPolarHBondContact CA-O 3.42Å; V28-F137 PolarHBondContact N-O 3.3Å; L62-F137 HydrophobicContact CB-CD2 3.82Å; L62-F137 HydrophobicContact CB-CE2 4.49Å; L62-F137 HydrophobicContact CD2-CD2 3.71Å; L62-F137 HydrophobicContact CD2-CE2 3.93Å; L62-F137 HydrophobicContact CG-CD2 3.65Å; L62-F137 HydrophobicContact CG-CE2 3.86Å; L62-F137 CarbonylContact O-C 3.58Å; L62-F137 WeakPolarHBondContact O-CA 3.44Å; L62-F137 VanDerWaalsContact O-CD2 3.24Å; L62-F137 WeakPolarHBondContact O-CD2 3.39Å; Q64-F137 HydrophobicContact CB-CE2 4.38Å; Q64-F137 HydrophobicContact CB-CZ 3.97Å; Q64-F137 HydrophobicContact CG-CZ 4.26Å; F67-F137 HydrophobicContact CD2-CE2 4.38Å; F67-F137 AromaticContact CE2-CE2 3.98Å; F67-F137 HydrophobicContact CE2-CE2 3.98Å; F67-F137 HydrophobicContact CE2-CZ 4.47Å; M97-F137 HydrophobicContact CG-CE1 4.37Å; M97-F137 HydrophobicContact CG-CZ 3.86Å; M97-F137 HydrophobicContact SD-CE1 3.85Å; M97-F137 HydrophobicContact SD-CZ 3.46Å; M97-F137 WeakPolarHBondContact SD-CZ 3.34Å; L101-F137 HydrophobicContact CD1-CD1 4.16Å; L101-F137 HydrophobicContact CD1-CE1 3.97Å; L101-F137 HydrophobicContact CD1-CZ 4.37Å; L101-F137 HydrophobicContact CD2-CD1 4.46Å; L101-F137 HydrophobicContact CD2-CD2 4.23Å; L101-F137 HydrophobicContact CD2-CG 4.14Å; F137-V142 HydrophobicContact CD1-CB 3.85Å; F137-V142 HydrophobicContact CD1-CG1 3.56Å; F137-V142 HydrophobicContact CE1-CB 3.81Å; F137-V142 HydrophobicContact CE1-CG1 3.35Å; F137-V142 HydrophobicContact CG-CG1 4.43Å; F137-V142 HydrophobicContact CZ-CG1 4.02Å; F137-I148 HydrophobicContact CE1-CG2 4.49Å; F137-F152 HydrophobicContact CB-CE1 3.94Å; F137-F152 HydrophobicContact CB-CZ 4.46Å; F137-F152 AromaticContact CD1-CE1 3.97Å; F137-F152 HydrophobicContact CD1-CE1 3.97Å; F137-F152 AromaticContact CD1-CZ 3.62Å; F137-F152 HydrophobicContact CD1-CZ 3.62Å; F137-F152 HydrophobicContact CE1-CZ 4.4Å; F137-F152 HydrophobicContact CG-CE1 4.41Å; F137-F152 HydrophobicContact CG-CZ 4.48Å
138	E	98	Very high	96.2	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.047	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145	-172.9	73.5	80.7	-162	0	0	113	V28 S37 I61 L62 S63 Q64	V28-E138 HydrophobicContact CB-CB 4.01Å; V28-E138 WeakPolarHBondContact O-CA 3.02Å; S37-E138 PolarHBondContact OG-OE2 3.41Å; I61-E138 HydrophobicContact CG2-CG 4.25Å; L62-E138 PolarHBondContact O-N 3Å; S63-E138 CarbonylContact C-O 3.52Å; S63-E138 WeakPolarHBondContact CA-O 3.38Å; S63-E138 WeakPolarHBondContact CB-OE1 3.07Å; S63-E138 PolarHBondContact OG-OE1 3.16Å; Q64-E138 WeakPolarHBondContact CB-O 3.49Å; Q64-E138 PolarHBondContact N-O 2.85Å
139	G	97.1	Very high	96.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.			trans	165.4	169.1	176.1	0	0	0	0	0	114.8	V28 S29 L141	V28-G139 PolarHBondContact O-N 3.28Å; S29-G139 VanDerWaalsContact CA-O 3.31Å; S29-G139 WeakPolarHBondContact CA-O 3.47Å; S29-G139 PolarHBondContact OG-O 2.85Å; G139-L141 VanDerWaalsContact C-N 3.31Å; G139-L141 PolarHBondContact O-N 2.89Å
140	I	96.6	Very high	96.5	Very high	26 Å²	26	44.7 Å²	44.7	13%	0.133	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.8	-173.7	55.7	161.1	0	0	0	114.2	S29 D87 F92	S29-I140 PolarHBondContact OG-O 3.14Å; D87-I140 HydrophobicContact CB-CD1 4.21Å; F92-I140 HydrophobicContact CE2-CD1 4.32Å; F92-I140 HydrophobicContact CZ-CD1 4Å; F92-I140 HydrophobicContact CZ-CG1 4.06Å
141	L	96.9	Very high	96.6	Very high	39 Å²	39	43.7 Å²	43.7	20%	0.204	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133	22.3	-173.2	-66.6	179	0	0	0	113	Q64 D87 P89 F92 G139 F143 Y144	Q64-L141 PolarHBondContact NE2-O 3.13Å; D87-L141 WeakPolarHBondContact O-CD1 3.42Å; P89-L141 HydrophobicContact CB-CD1 4.39Å; P89-L141 HydrophobicContact CG-CD1 4.05Å; F92-L141 HydrophobicContact CD2-CD1 4.18Å; F92-L141 HydrophobicContact CE2-CD1 3.81Å; G139-L141 VanDerWaalsContact C-N 3.31Å; G139-L141 PolarHBondContact O-N 2.89Å; L141-F143 PolarHBondContact O-N 3.26Å; L141-Y144 VanDerWaalsContact O-CB 3.26Å; L141-Y144 WeakPolarHBondContact O-CB 3.49Å; L141-Y144 PolarHBondContact O-N 3.29Å
142	V	97.3	Very high	96.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.012	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.1	-177	-60.7	0	0	0	0	113.7	Q64 F137 F152	Q64-V142 HydrophobicContact CB-CG1 3.97Å; Q64-V142 HydrophobicContact CG-CG1 4.34Å; F137-V142 HydrophobicContact CD1-CB 3.85Å; F137-V142 HydrophobicContact CD1-CG1 3.56Å; F137-V142 HydrophobicContact CE1-CB 3.81Å; F137-V142 HydrophobicContact CE1-CG1 3.35Å; F137-V142 HydrophobicContact CG-CG1 4.43Å; F137-V142 HydrophobicContact CZ-CG1 4.02Å; V142-F152 WeakPolarHBondContact O-CE2 3.5Å
143	F	97.6	Very high	97.1	Very high	38 Å²	38	46.3 Å²	46.3	17%	0.167	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	5.9	176.3	-55.3	-37	0	0	0	114.6	G27 S29 L141 R149 F152 R155 L156	G27-F143 WeakPolarHBondContact O-CZ 3.35Å; S29-F143 VanDerWaalsContact CB-CD2 3.49Å; S29-F143 VanDerWaalsContact CB-CE2 3.42Å; L141-F143 PolarHBondContact O-N 3.26Å; F143-R149 HydrophobicContact CB-CG 4.44Å; F143-R149 HydrophobicContact CD1-CG 4.5Å; F143-F152 AromaticContact CD1-CD2 3.87Å; F143-F152 HydrophobicContact CD1-CD2 3.87Å; F143-F152 AromaticContact CD1-CE2 3.86Å; F143-F152 HydrophobicContact CD1-CE2 3.86Å; F143-F152 AromaticContact CE1-CD2 3.68Å; F143-F152 HydrophobicContact CE1-CD2 3.68Å; F143-F152 AromaticContact CE1-CE2 3.88Å; F143-F152 HydrophobicContact CE1-CE2 3.88Å; F143-F152 HydrophobicContact CE1-CG 4.36Å; F143-R155 HydrophobicContact CD1-CG 4.32Å; F143-R155 HydrophobicContact CE1-CB 3.81Å; F143-R155 HydrophobicContact CE1-CG 3.71Å; F143-R155 HydrophobicContact CE2-CB 4.11Å; F143-R155 HydrophobicContact CZ-CB 3.52Å; F143-R155 HydrophobicContact CZ-CG 4Å; F143-L156 WeakPolarHBondContact CE2-O 3.37Å
144	Y	97.1	Very high	97.3	Very high	149 Å²	149	46.1 Å²	46.1	58%	0.584	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-55.3	-177.3	179.7	-95.9	0	0	0	112.1	P89 L141	P89-Y144 HydrophobicContact CB-CD1 3.81Å; P89-Y144 HydrophobicContact CB-CE1 3.47Å; P89-Y144 VanDerWaalsContact CB-CE1 3.47Å; P89-Y144 HydrophobicContact CB-CE2 4.46Å; P89-Y144 HydrophobicContact CB-CG 4.44Å; P89-Y144 HydrophobicContact CG-CD1 3.95Å; P89-Y144 HydrophobicContact CG-CD2 4.02Å; P89-Y144 HydrophobicContact CG-CE1 3.56Å; P89-Y144 HydrophobicContact CG-CE2 3.62Å; P89-Y144 HydrophobicContact CG-CG 4.17Å; L141-Y144 VanDerWaalsContact O-CB 3.26Å; L141-Y144 WeakPolarHBondContact O-CB 3.49Å; L141-Y144 PolarHBondContact O-N 3.29Å
145	S	95.5	Very high	97.4	Very high	31 Å²	31	49.9 Å²	49.9	22%	0.217	23%	0.229	C	C	.	.	S	Bend	trans	-74.7	128.5	177.1	174	0	0	0	0	110.5	E147 I148 R149	S145-E147 VanDerWaalsContact C-N 3.3Å; S145-E147 PolarHBondContact O-N 2.86Å; S145-E147 PolarHBondContact OG-N 2.69Å; S145-I148 PolarHBondContact O-N 3.29Å; S145-R149 WeakPolarHBondContact O-CB 3.32Å; S145-R149 PolarHBondContact O-N 3.29Å
146	Q	96.7	Very high	97.4	Very high	119 Å²	119	52.9 Å²	52.9	56%	0.556	24%	0.244	S	C	*	.	H	α-helix	trans	-60.4	-40.9	176.4	179.6	172.4	-4.4	0	0	111.8	I148 R149 D150	Q146-I148 VanDerWaalsContact C-N 3.34Å; Q146-I148 PolarHBondContact O-N 2.83Å; Q146-R149 PolarHBondContact O-N 2.96Å; Q146-D150 WeakPolarHBondContact CG-OD2 3.3Å; Q146-D150 PolarHBondContact NE2-OD2 3.26Å; Q146-D150 WeakPolarHBondContact O-CB 3.5Å; Q146-D150 VanDerWaalsContact O-CG 3.23Å; Q146-D150 PolarHBondContact O-N 2.65Å
147	E	96.3	Very high	97.4	Very high	122 Å²	122	59 Å²	59	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-58.6	-45.4	-178.3	-63.3	-174.4	167.9	0	0	111.9	H98 S145 M151	H98-E147 IonicContact CE1-OE2 3.45Å; H98-E147 IonicContact ND1-OE2 2.81Å; S145-E147 VanDerWaalsContact C-N 3.3Å; S145-E147 PolarHBondContact O-N 2.86Å; S145-E147 PolarHBondContact OG-N 2.69Å; E147-M151 WeakPolarHBondContact O-CG 3.41Å
148	I	97.1	Very high	97.3	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-73.2	-42.4	177.5	-70.1	162.8	0	0	0	110.6	M97 H98 L101 F137 S145 Q146 D150 M151 F152	M97-I148 HydrophobicContact CB-CD1 4.39Å; M97-I148 HydrophobicContact CE-CD1 3.38Å; M97-I148 HydrophobicContact CG-CD1 3.83Å; M97-I148 HydrophobicContact SD-CD1 3.95Å; H98-I148 HydrophobicContact CB-CD1 4.34Å; H98-I148 HydrophobicContact CB-CG1 4.18Å; L101-I148 HydrophobicContact CD1-CG1 4.26Å; L101-I148 HydrophobicContact CD1-CG2 3.68Å; F137-I148 HydrophobicContact CE1-CG2 4.49Å; S145-I148 PolarHBondContact O-N 3.29Å; Q146-I148 VanDerWaalsContact C-N 3.34Å; Q146-I148 PolarHBondContact O-N 2.83Å; I148-D150 PolarHBondContact O-N 2.95Å; I148-M151 VanDerWaalsContact O-CB 3.32Å; I148-M151 WeakPolarHBondContact O-CB 3.47Å; I148-M151 PolarHBondContact O-N 3.06Å; I148-F152 HydrophobicContact CG2-CE2 3.76Å; I148-F152 HydrophobicContact CG2-CZ 3.69Å; I148-F152 WeakPolarHBondContact O-CE2 3.37Å
149	R	97.8	Very high	97.1	Very high	83 Å²	83	66.4 Å²	66.4	31%	0.313	31%	0.312	S	S	.	.	H	α-helix	trans	-57.4	-38.5	-179.3	-178.5	178.4	64.1	-159.3	0.4	112	F143 S145 Q146 M151 F152 R155	F143-R149 HydrophobicContact CB-CG 4.44Å; F143-R149 HydrophobicContact CD1-CG 4.5Å; S145-R149 WeakPolarHBondContact O-CB 3.32Å; S145-R149 PolarHBondContact O-N 3.29Å; Q146-R149 PolarHBondContact O-N 2.96Å; R149-M151 PolarHBondContact O-N 3.2Å; R149-F152 WeakPolarHBondContact O-CD2 3.17Å; R149-F152 PolarHBondContact O-N 3.11Å; R149-R155 VanDerWaalsContact CG-CZ 3.47Å; R149-R155 VanDerWaalsContact O-CZ 3.3Å; R149-R155 PolarHBondContact O-NE 3.23Å; R149-R155 VanDerWaalsContact O-NE 3.14Å; R149-R155 PolarHBondContact O-NH2 2.89Å
150	D	97.7	Very high	96.9	Very high	89 Å²	89	67.7 Å²	67.7	48%	0.476	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-6.5	-177.9	-66	-12.7	0	0	0	113	Q146 I148 R155	Q146-D150 WeakPolarHBondContact CG-OD2 3.3Å; Q146-D150 PolarHBondContact NE2-OD2 3.26Å; Q146-D150 WeakPolarHBondContact O-CB 3.5Å; Q146-D150 VanDerWaalsContact O-CG 3.23Å; Q146-D150 PolarHBondContact O-N 2.65Å; I148-D150 PolarHBondContact O-N 2.95Å; D150-R155 IonicContact OD1-NH2 2.66Å; D150-R155 PolarHBondContact OD1-NH2 3.17Å
151	M	97.4	Very high	96.8	Very high	34 Å²	34	71.8 Å²	71.8	17%	0.167	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-20.6	172.4	-55.9	175.2	67.7	0	0	113.6	L25 L101 K102 V105 E147 I148 R149	L25-M151 HydrophobicContact CD2-CB 3.8Å; L101-M151 VanDerWaalsContact C-CE 3.5Å; L101-M151 HydrophobicContact CB-CE 3.62Å; L101-M151 HydrophobicContact CB-SD 4.07Å; K102-M151 HydrophobicContact CB-CE 4.39Å; V105-M151 HydrophobicContact CB-CE 4.42Å; V105-M151 HydrophobicContact CG2-CE 3.8Å; E147-M151 WeakPolarHBondContact O-CG 3.41Å; I148-M151 VanDerWaalsContact O-CB 3.32Å; I148-M151 WeakPolarHBondContact O-CB 3.47Å; I148-M151 PolarHBondContact O-N 3.06Å; R149-M151 PolarHBondContact O-N 3.2Å
152	F	98.1	Very high	96.5	Very high	14 Å²	14	72.8 Å²	72.8	6%	0.061	35%	0.353	C	S	.	.			trans	-79.2	135.5	-176	-59.8	-62.3	0	0	0	112.5	L25 G27 F137 V142 F143 I148 R149 R155	L25-F152 HydrophobicContact CB-CD1 4.36Å; L25-F152 HydrophobicContact CD2-CD1 3.85Å; L25-F152 HydrophobicContact CD2-CE1 3.84Å; L25-F152 HydrophobicContact CG-CD1 3.69Å; L25-F152 HydrophobicContact CG-CE1 3.84Å; G27-F152 VanDerWaalsContact N-CD1 3.29Å; F137-F152 HydrophobicContact CB-CE1 3.94Å; F137-F152 HydrophobicContact CB-CZ 4.46Å; F137-F152 AromaticContact CD1-CE1 3.97Å; F137-F152 HydrophobicContact CD1-CE1 3.97Å; F137-F152 AromaticContact CD1-CZ 3.62Å; F137-F152 HydrophobicContact CD1-CZ 3.62Å; F137-F152 HydrophobicContact CE1-CZ 4.4Å; F137-F152 HydrophobicContact CG-CE1 4.41Å; F137-F152 HydrophobicContact CG-CZ 4.48Å; V142-F152 WeakPolarHBondContact O-CE2 3.5Å; F143-F152 AromaticContact CD1-CD2 3.87Å; F143-F152 HydrophobicContact CD1-CD2 3.87Å; F143-F152 AromaticContact CD1-CE2 3.86Å; F143-F152 HydrophobicContact CD1-CE2 3.86Å; F143-F152 AromaticContact CE1-CD2 3.68Å; F143-F152 HydrophobicContact CE1-CD2 3.68Å; F143-F152 AromaticContact CE1-CE2 3.88Å; F143-F152 HydrophobicContact CE1-CE2 3.88Å; F143-F152 HydrophobicContact CE1-CG 4.36Å; I148-F152 HydrophobicContact CG2-CE2 3.76Å; I148-F152 HydrophobicContact CG2-CZ 3.69Å; I148-F152 WeakPolarHBondContact O-CE2 3.37Å; R149-F152 WeakPolarHBondContact O-CD2 3.17Å; R149-F152 PolarHBondContact O-N 3.11Å; F152-R155 HydrophobicContact CB-CG 3.9Å; F152-R155 HydrophobicContact CD2-CG 4.45Å
153	H	98.3	Very high	96.2	Very high	93 Å²	93	78 Å²	78	43%	0.431	38%	0.38	S	S	.	.	S	Bend	trans	-83.2	-30.8	170.9	-51.3	88.6	0	0	0	111.5	P23 F24 L25	P23-H153 PolarHBondContact O-CE1 3.38Å; F24-H153 HydrophobicContact CD1-CB 4.41Å; F24-H153 HydrophobicContact CD2-CB 3.79Å; F24-H153 AromaticContact CD2-CG 3.91Å; F24-H153 HydrophobicContact CE1-CB 4.05Å; F24-H153 HydrophobicContact CE2-CB 3.37Å; F24-H153 AromaticContact CE2-CG 3.97Å; F24-H153 HydrophobicContact CG-CB 4.3Å; F24-H153 HydrophobicContact CZ-CB 3.51Å; L25-H153 PolarHBondContact N-ND1 2.79Å; L25-H153 PolarHBondContact O-N 3.48Å; L25-H153 PolarHBondContact O-ND1 2.84Å
154	L	98	Very high	95.9	Very high	76 Å²	76	78.4 Å²	78.4	40%	0.398	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.3	175.6	-177.2	65.4	0	0	0	109.9	F24 I26 G27 L156	F24-L154 HydrophobicContact CE1-CB 3.98Å; F24-L154 HydrophobicContact CZ-CB 4.23Å; I26-L154 WeakPolarHBondContact CA-O 3.34Å; I26-L154 HydrophobicContact CD1-CD2 4.36Å; I26-L154 HydrophobicContact CG1-CB 4.25Å; I26-L154 HydrophobicContact CG2-CB 4.17Å; I26-L154 HydrophobicContact CG2-CD2 4.15Å; I26-L154 HydrophobicContact CG2-CG 4.29Å; G27-L154 PolarHBondContact N-O 3.07Å; L154-L156 HydrophobicContact CD1-CD2 4.34Å; L154-L156 HydrophobicContact CD2-CD1 4.44Å; L154-L156 HydrophobicContact CD2-CD2 4.05Å; L154-L156 HydrophobicContact CD2-CG 4.27Å; L154-L156 HydrophobicContact CG-CD2 4.04Å; L154-L156 HydrophobicContact CG-CG 4.25Å
155	R	98.2	Very high	95.6	Very high	118 Å²	118	73.6 Å²	73.6	45%	0.445	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	114.9	-179.5	-60.2	175.9	-169.1	160.1	0.1	108.6	F143 R149 D150 F152	F143-R155 HydrophobicContact CD1-CG 4.32Å; F143-R155 HydrophobicContact CE1-CB 3.81Å; F143-R155 HydrophobicContact CE1-CG 3.71Å; F143-R155 HydrophobicContact CE2-CB 4.11Å; F143-R155 HydrophobicContact CZ-CB 3.52Å; F143-R155 HydrophobicContact CZ-CG 4Å; R149-R155 VanDerWaalsContact CG-CZ 3.47Å; R149-R155 VanDerWaalsContact O-CZ 3.3Å; R149-R155 PolarHBondContact O-NE 3.23Å; R149-R155 VanDerWaalsContact O-NE 3.14Å; R149-R155 PolarHBondContact O-NH2 2.89Å; D150-R155 IonicContact OD1-NH2 2.66Å; D150-R155 PolarHBondContact OD1-NH2 3.17Å; F152-R155 HydrophobicContact CB-CG 3.9Å; F152-R155 HydrophobicContact CD2-CG 4.45Å
156	L	97.8	Very high	95.2	Very high	63 Å²	63	76.2 Å²	76.2	33%	0.33	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139.4	178.2	-57.6	179.7	0	0	0	109.3	I26 G27 V28 S29 F143 L154	I26-L156 HydrophobicContact CG2-CD1 4.04Å; I26-L156 HydrophobicContact CG2-CG 4.24Å; G27-L156 PolarHBondContact O-N 2.81Å; V28-L156 CarbonylContact C-O 3.6Å; V28-L156 WeakPolarHBondContact CA-O 3.49Å; V28-L156 HydrophobicContact CG2-CB 4.36Å; V28-L156 HydrophobicContact CG2-CD1 4.29Å; S29-L156 PolarHBondContact N-O 2.87Å; F143-L156 WeakPolarHBondContact CE2-O 3.37Å; L154-L156 HydrophobicContact CD1-CD2 4.34Å; L154-L156 HydrophobicContact CD2-CD1 4.44Å; L154-L156 HydrophobicContact CD2-CD2 4.05Å; L154-L156 HydrophobicContact CD2-CG 4.27Å; L154-L156 HydrophobicContact CG-CD2 4.04Å; L154-L156 HydrophobicContact CG-CG 4.25Å
157	F	97.4	Very high	94.9	Very high	130 Å²	130	73 Å²	73	57%	0.57	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.2	173.1	-165	-86.6	0	0	0	108.9	S29 D159	S29-F157 CarbonylContact O-C 3.56Å; S29-F157 WeakPolarHBondContact O-CA 3.47Å; F157-D159 HydrophobicContact CD1-CB 4.06Å; F157-D159 HydrophobicContact CE1-CB 4.26Å; F157-D159 PolarHBondContact O-N 3.13Å
158	V	96.5	Very high	94.5	Very high	28 Å²	28	72.1 Å²	72.1	17%	0.17	36%	0.36	C	S	.	.			trans	-89.3	97	175.3	-176.7	0	0	0	0	107.7	V28 S29 S34 K36 V39	V28-V158 HydrophobicContact CG1-CG2 4.12Å; S29-V158 PolarHBondContact O-N 2.78Å; S34-V158 WeakPolarHBondContact CB-O 3.38Å; S34-V158 WeakPolarHBondContact O-CG1 3.42Å; S34-V158 PolarHBondContact OG-O 3.39Å; K36-V158 HydrophobicContact CG-CB 4.41Å; K36-V158 HydrophobicContact CG-CG2 4.42Å; V39-V158 HydrophobicContact CG2-CG2 4.23Å
159	D	94.9	Very high	93.9	Very high	137 Å²	137	73.8 Å²	73.8	73%	0.733	37%	0.366	S	S	*	.			trans	-87	119.6	177.7	-163.6	16.9	0	0	0	110.3	F157	F157-D159 HydrophobicContact CD1-CB 4.06Å; F157-D159 HydrophobicContact CE1-CB 4.26Å; F157-D159 PolarHBondContact O-N 3.13Å
160	T	92.9	Very high	92.9	Very high	27 Å²	27	74 Å²	74	17%	0.166	37%	0.373	C	S	.	.			trans	-142.8	133.7	-178.9	-60.1	0	0	0	0	107	S34 V164 R165	S34-T160 PolarHBondContact O-OG1 2.84Å; T160-V164 HydrophobicContact CG2-CB 3.96Å; T160-V164 HydrophobicContact CG2-CG1 3.72Å; T160-R165 HydrophobicContact CG2-CG 3.92Å; T160-R165 WeakPolarHBondContact O-CD 3.33Å
161	D	93.5	Very high	91.8	Very high	112 Å²	112	76.2 Å²	76.2	60%	0.599	38%	0.379	S	S	*	.			trans	-53.7	143	-179.1	-60.5	-34.1	0	0	0	112.3	D163 V164 R165	D161-D163 VanDerWaalsContact C-N 3.31Å; D161-D163 WeakPolarHBondContact CB-OD1 3.17Å; D161-D163 PolarHBondContact O-N 3.2Å; D161-V164 HydrophobicContact CB-CG2 4.24Å; D161-V164 PolarHBondContact O-N 3.31Å; D161-R165 WeakPolarHBondContact O-CG 3.46Å; D161-R165 PolarHBondContact O-N 2.99Å
162	S	90.2	Very high	90.5	Very high	61 Å²	61	79.8 Å²	79.8	43%	0.427	40%	0.395	S	S	.	.	H	α-helix	trans	-64.4	-32.6	-172.7	-71.3	0	0	0	0	113.3	R165 L166 W201	S162-R165 PolarHBondContact O-N 2.85Å; S162-L166 WeakPolarHBondContact O-CB 3.45Å; S162-L166 PolarHBondContact O-N 2.77Å; S162-W201 PolarHBondContact OG-O 2.93Å
163	D	90.8	Very high	88.8	Confident	110 Å²	110	81.2 Å²	81.2	59%	0.588	41%	0.405	S	S	*	.	H	α-helix	trans	-68	-41.7	174.6	61.9	-19.2	0	0	0	112.2	D161 L166 S167	D161-D163 VanDerWaalsContact C-N 3.31Å; D161-D163 WeakPolarHBondContact CB-OD1 3.17Å; D161-D163 PolarHBondContact O-N 3.2Å; D163-L166 PolarHBondContact O-N 2.9Å; D163-S167 WeakPolarHBondContact O-CB 3.36Å; D163-S167 PolarHBondContact O-N 2.98Å
164	V	91.1	Very high	86.6	Confident	48 Å²	48	80.7 Å²	80.7	29%	0.291	41%	0.411	S	S	.	.	H	α-helix	trans	-62.8	-45.4	174	176.4	0	0	0	0	110.1	T160 D161 S167 R168	T160-V164 HydrophobicContact CG2-CB 3.96Å; T160-V164 HydrophobicContact CG2-CG1 3.72Å; D161-V164 HydrophobicContact CB-CG2 4.24Å; D161-V164 PolarHBondContact O-N 3.31Å; V164-S167 PolarHBondContact O-N 2.81Å; V164-S167 PolarHBondContact O-OG 3.39Å; V164-R168 WeakPolarHBondContact O-CG 3.47Å; V164-R168 PolarHBondContact O-N 2.82Å; V164-R168 VanDerWaalsContact O-N 3.11Å
165	R	91.8	Very high	84.4	Confident	48 Å²	48	86.8 Å²	86.8	18%	0.181	43%	0.428	C	S	.	.	H	α-helix	trans	-60.5	-46.7	176.7	-74	164.2	54.1	-154.8	-13	112	T32 A33 T160 D161 S162 S167 R168 R169	T32-R165 PolarHBondContact O-NE 2.85Å; T32-R165 VanDerWaalsContact O-NE 3.1Å; A33-R165 WeakPolarHBondContact CB-O 3.46Å; T160-R165 HydrophobicContact CG2-CG 3.92Å; T160-R165 WeakPolarHBondContact O-CD 3.33Å; D161-R165 WeakPolarHBondContact O-CG 3.46Å; D161-R165 PolarHBondContact O-N 2.99Å; S162-R165 PolarHBondContact O-N 2.85Å; R165-S167 VanDerWaalsContact C-N 3.35Å; R165-S167 PolarHBondContact O-N 3.31Å; R165-R168 PolarHBondContact O-N 2.84Å; R165-R169 WeakPolarHBondContact O-CB 3.44Å; R165-R169 PolarHBondContact O-N 3.22Å
166	L	87.6	Confident	81.9	Confident	86 Å²	86	86 Å²	86	45%	0.45	44%	0.44	S	S	.	.	H	α-helix	trans	-59.6	-46.7	177.4	-176.2	62.6	0	0	0	111	S162 D163 R168 R169 D170	S162-L166 WeakPolarHBondContact O-CB 3.45Å; S162-L166 PolarHBondContact O-N 2.77Å; D163-L166 PolarHBondContact O-N 2.9Å; L166-R168 VanDerWaalsContact C-N 3.26Å; L166-R168 PolarHBondContact O-N 2.86Å; L166-R169 WeakPolarHBondContact O-CB 3.48Å; L166-R169 PolarHBondContact O-N 3.14Å; L166-R169 VanDerWaalsContact O-N 3.13Å; L166-D170 PolarHBondContact O-N 2.89Å
167	S	89.4	Confident	79.4	Confident	50 Å²	50	87 Å²	87	35%	0.35	45%	0.445	S	S	.	.	H	α-helix	trans	-60.8	-32.6	179.1	80.3	0	0	0	0	113.8	D163 V164 R165 K171	D163-S167 WeakPolarHBondContact O-CB 3.36Å; D163-S167 PolarHBondContact O-N 2.98Å; V164-S167 PolarHBondContact O-N 2.81Å; V164-S167 PolarHBondContact O-OG 3.39Å; R165-S167 VanDerWaalsContact C-N 3.35Å; R165-S167 PolarHBondContact O-N 3.31Å; S167-K171 WeakPolarHBondContact O-CD 3.22Å; S167-K171 WeakPolarHBondContact O-CG 3.39Å
168	R	88.1	Confident	76.4	Confident	104 Å²	104	88 Å²	88	39%	0.392	45%	0.452	S	S	.	.	H	α-helix	trans	-74.2	-43.1	176.1	-72.6	173.8	-177.3	177.7	2.2	110.7	A33 S34 V164 R165 L166 K171 E172	A33-R168 HydrophobicContact CB-CB 4.05Å; A33-R168 WeakPolarHBondContact O-CD 3.29Å; A33-R168 PolarHBondContact O-NH1 2.83Å; S34-R168 PolarHBondContact O-NH1 2.86Å; V164-R168 WeakPolarHBondContact O-CG 3.47Å; V164-R168 PolarHBondContact O-N 2.82Å; V164-R168 VanDerWaalsContact O-N 3.11Å; R165-R168 PolarHBondContact O-N 2.84Å; L166-R168 VanDerWaalsContact C-N 3.26Å; L166-R168 PolarHBondContact O-N 2.86Å; R168-K171 WeakPolarHBondContact O-CB 3.33Å; R168-K171 PolarHBondContact O-N 2.86Å; R168-E172 WeakPolarHBondContact O-CG 2.96Å; R168-E172 PolarHBondContact O-N 3.23Å
169	R	83.6	Confident	73.6	Confident	38 Å²	38	91.7 Å²	91.7	14%	0.143	48%	0.477	C	S	.	.	H	α-helix	trans	-62.4	-44.4	178.8	-171.7	170.1	-175.9	-121.9	2.7	112.2	A33 R165 L166 K171 E172 V173 H195 P196 G197	A33-R169 HydrophobicContact CB-CB 4.16Å; R165-R169 WeakPolarHBondContact O-CB 3.44Å; R165-R169 PolarHBondContact O-N 3.22Å; L166-R169 WeakPolarHBondContact O-CB 3.48Å; L166-R169 PolarHBondContact O-N 3.14Å; L166-R169 VanDerWaalsContact O-N 3.13Å; R169-K171 PolarHBondContact O-N 3.49Å; R169-E172 WeakPolarHBondContact O-CB 3.43Å; R169-E172 PolarHBondContact O-N 3.08Å; R169-E172 VanDerWaalsContact O-N 3.07Å; R169-V173 HydrophobicContact CG-CG2 4.47Å; R169-V173 WeakPolarHBondContact O-CG2 3.33Å; R169-V173 PolarHBondContact O-N 3.23Å; R169-H195 PolarHBondContact NH2-O 3.48Å; R169-P196 PolarHBondContact NH2-O 3.35Å; R169-G197 PolarHBondContact NH1-O 2.86Å; R169-G197 VanDerWaalsContact NH2-CA 3.32Å
170	D	77.4	Confident	71.1	Confident	88 Å²	88	90.2 Å²	90.2	47%	0.471	48%	0.483	S	S	.	.	H	α-helix	trans	-58.5	-40.1	176.2	-71.7	-15.5	0	0	0	111.1	L166 C174	L166-D170 PolarHBondContact O-N 2.89Å; D170-C174 WeakPolarHBondContact O-CB 3.47Å; D170-C174 PolarHBondContact O-N 3.08Å; D170-C174 PolarHBondContact O-SG 2.77Å
171	K	74.3	Confident	68.3	Low	136 Å²	136	99.9 Å²	99.9	59%	0.591	52%	0.517	S	S	*	.	H	α-helix	trans	-67.6	-35.9	175.4	-70	171.3	-175.8	171.5	0	113.1	S167 R168 R169 R175	S167-K171 WeakPolarHBondContact O-CD 3.22Å; S167-K171 WeakPolarHBondContact O-CG 3.39Å; R168-K171 WeakPolarHBondContact O-CB 3.33Å; R168-K171 PolarHBondContact O-N 2.86Å; R169-K171 PolarHBondContact O-N 3.49Å; K171-R175 WeakPolarHBondContact O-CG 3.42Å; K171-R175 PolarHBondContact O-N 3.3Å
172	E	70.3	Confident	65.8	Low	109 Å²	109	100.5 Å²	100.5	51%	0.509	53%	0.53	S	S	.	.	H	α-helix	trans	-67.7	-46.6	176.7	-74.2	171.3	174.5	0	0	111.1	R168 R169 R175 C176	R168-E172 WeakPolarHBondContact O-CG 2.96Å; R168-E172 PolarHBondContact O-N 3.23Å; R169-E172 WeakPolarHBondContact O-CB 3.43Å; R169-E172 PolarHBondContact O-N 3.08Å; R169-E172 VanDerWaalsContact O-N 3.07Å; E172-R175 PolarHBondContact O-N 2.98Å; E172-C176 PolarHBondContact O-N 3.49Å
173	V	62.8	Low	63.3	Low	43 Å²	43	101 Å²	101	26%	0.261	54%	0.544	S	S	.	.	H	α-helix	trans	-61.8	-49	177.3	175.9	0	0	0	0	110.7	R169 R175 C176 H195	R169-V173 HydrophobicContact CG-CG2 4.47Å; R169-V173 WeakPolarHBondContact O-CG2 3.33Å; R169-V173 PolarHBondContact O-N 3.23Å; V173-R175 PolarHBondContact O-N 2.65Å; V173-C176 WeakPolarHBondContact O-CB 3.32Å; V173-C176 PolarHBondContact O-N 3.2Å; V173-H195 VanDerWaalsContact CG2-CD2 3.49Å; V173-H195 WeakPolarHBondContact CG2-CD2 3.34Å
174	C	53	Low	61	Low	83 Å²	83	103.5 Å²	103.5	56%	0.561	55%	0.552	S	S	*	*	H	α-helix	trans	-64.5	-22.2	179.8	-68.2	0	0	0	0	114.1	D170	D170-C174 WeakPolarHBondContact O-CB 3.47Å; D170-C174 PolarHBondContact O-N 3.08Å; D170-C174 PolarHBondContact O-SG 2.77Å
175	R	51.6	Low	58.2	Low	203 Å²	203	111.3 Å²	111.3	77%	0.766	58%	0.578	S	S	*	*	H	α-helix	trans	-71.5	-32.7	173.2	-83	-177.1	-159.4	-169.9	6	112.6	K171 E172 V173 D177	K171-R175 WeakPolarHBondContact O-CG 3.42Å; K171-R175 PolarHBondContact O-N 3.3Å; E172-R175 PolarHBondContact O-N 2.98Å; V173-R175 PolarHBondContact O-N 2.65Å; R175-D177 PolarHBondContact O-N 3.37Å
176	C	45.7	Very low	55.3	Low	103 Å²	103	112.2 Å²	112.2	70%	0.696	60%	0.602	S	S	*	*	H	α-helix	trans	-68.8	-22.6	-179.9	-68.8	0	0	0	0	112.9	E172 V173	E172-C176 PolarHBondContact O-N 3.49Å; V173-C176 WeakPolarHBondContact O-CB 3.32Å; V173-C176 PolarHBondContact O-N 3.2Å
177	D	44.2	Very low	52.8	Low	82 Å²	82	114.8 Å²	114.8	44%	0.439	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87	-0.2	-177.8	-73.8	-38.6	0	0	0	115.6	R175 P179 P190	R175-D177 PolarHBondContact O-N 3.37Å; D177-P179 WeakPolarHBondContact O-CD 3.49Å; D177-P190 WeakPolarHBondContact OD2-CG 3.45Å
178	H	34.2	Very low	50	Low	151 Å²	151	120.9 Å²	120.9	70%	0.699	65%	0.649	S	S	*	*			trans	-116.9	95.3	-179.8	-84.7	73.4	0	0	0	112.8
179	P	38.4	Very low	47.4	Very low	107 Å²	107	123.7 Å²	123.7	70%	0.695	67%	0.666	S	S	*	*			trans	-72.2	131.6	144.9	31.4	-25.6	0	0	0	107.1	D177 R181	D177-P179 WeakPolarHBondContact O-CD 3.49Å; P179-R181 PolarHBondContact O-N 2.85Å
180	A	42	Very low	45.1	Very low	106 Å²	106	125.3 Å²	125.3	88%	0.876	68%	0.682	S	S	*	*			trans	-48.6	103.3	178.7	0	0	0	0	0	111.9
181	R	35.4	Very low	43.1	Very low	230 Å²	230	128.1 Å²	128.1	87%	0.868	70%	0.697	S	S	*	*			trans	-127.4	116.9	159.6	-91.9	-169.8	175.1	-174.5	0.3	108.8	P179	P179-R181 PolarHBondContact O-N 2.85Å
182	S	40.3	Very low	41.4	Very low	125 Å²	125	132.8 Å²	132.8	87%	0.874	71%	0.711	S	S	*	*			trans	-52.1	130.3	168.4	50.9	0	0	0	0	111.6
183	G	38.5	Very low	39.9	Very low	71 Å²	71	128.1 Å²	128.1	73%	0.732	69%	0.691	S	S	*	*	S	Bend	trans	100.8	105.1	154.2	0	0	0	0	0	115.8
184	Q	41.1	Very low	38.8	Very low	162 Å²	162	128.3 Å²	128.3	76%	0.757	70%	0.697	S	S	*	*			trans	48.4	147.8	152.4	-74.2	179.4	-2.1	0	0	120.7
185	Y	32.1	Very low	38.4	Very low	212 Å²	212	128.3 Å²	128.3	83%	0.831	69%	0.689	S	S	*	*			trans	101.7	110.4	162.6	-55.8	-74	0	0	0	117.3
186	G	31.5	Very low	37.9	Very low	67 Å²	67	119.6 Å²	119.6	69%	0.691	66%	0.658	S	S	*	*			trans	75.2	105.6	143.4	0	0	0	0	0	117.4	H188	G186-H188 PolarHBondContact O-N 2.71Å
187	C	34.4	Very low	37.8	Very low	140 Å²	140	115.5 Å²	115.5	95%	0.946	63%	0.633	S	S	*	*			trans	-62.4	83.8	152.5	-81.4	0	0	0	0	108.9
188	H	31.6	Very low	37.6	Very low	178 Å²	178	119.2 Å²	119.2	82%	0.824	65%	0.648	S	S	*	*			trans	-80.2	110.6	155.4	-96.1	-62.3	0	0	0	106.7	G186 P190	G186-H188 PolarHBondContact O-N 2.71Å; H188-P190 WeakPolarHBondContact O-CD 3.43Å
189	Q	32.3	Very low	37.5	Very low	163 Å²	163	114.5 Å²	114.5	76%	0.762	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-55.7	120.2	169.2	-73.8	-177.5	-27.6	0	0	108.4
190	P	35	Very low	36.9	Very low	73 Å²	73	118.2 Å²	118.2	47%	0.474	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-71.3	149.9	162.6	16.9	-5.5	0	0	0	108.8	D177 H188 R192	D177-P190 WeakPolarHBondContact OD2-CG 3.45Å; H188-P190 WeakPolarHBondContact O-CD 3.43Å; P190-R192 PolarHBondContact O-N 3.02Å
191	D	35.6	Very low	36.7	Very low	146 Å²	146	126.2 Å²	126.2	78%	0.781	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-46.5	126.3	-177.7	-115.1	-35.5	0	0	0	111.7	A193	D191-A193 HydrophobicContact CB-CB 4.35Å; D191-A193 PolarHBondContact O-N 3.22Å
192	R	39.8	Very low	36.8	Very low	234 Å²	234	121.1 Å²	121.1	88%	0.883	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	9.4	177.2	-84.2	178.5	169.9	175.4	-4.1	114.6	P190	P190-R192 PolarHBondContact O-N 3.02Å
193	A	38.1	Very low	36.6	Very low	12 Å²	12	120.8 Å²	120.8	10%	0.099	62%	0.624	C	S	.	*	T	Hydrogen-bonded Turn	trans	-92.7	-17.2	-161.3	0	0	0	0	0	115.8	G82 D191	G82-A193 VanDerWaalsContact N-CB 3.27Å; D191-A193 HydrophobicContact CB-CB 4.35Å; D191-A193 PolarHBondContact O-N 3.22Å
194	A	39.1	Very low	36.5	Very low	47 Å²	47	123.6 Å²	123.6	39%	0.388	62%	0.618	S	S	.	*	S	Bend	trans	-98.3	2.6	-160.6	0	0	0	0	0	117
195	H	45.5	Very low	36.2	Very low	83 Å²	83	121.4 Å²	121.4	38%	0.384	61%	0.61	S	S	.	*	S	Bend	trans	-128.5	136.3	-175.5	-65.5	-63.7	0	0	0	114.4	R169 V173 G197	R169-H195 PolarHBondContact NH2-O 3.48Å; V173-H195 VanDerWaalsContact CG2-CD2 3.49Å; V173-H195 WeakPolarHBondContact CG2-CD2 3.34Å; H195-G197 PolarHBondContact O-N 3.24Å
196	P	40.9	Very low	36.5	Very low	19 Å²	19	115.7 Å²	115.7	12%	0.123	60%	0.596	C	S	.	*	S	Bend	trans	-68	123.6	176.5	30.6	-36.1	0	0	0	110.4	F86 F117 R169	F86-P196 HydrophobicContact CB-CB 3.32Å; F86-P196 HydrophobicContact CD2-CB 4.39Å; F86-P196 HydrophobicContact CG-CB 4.01Å; F117-P196 HydrophobicContact CE1-CG 4.48Å; R169-P196 PolarHBondContact NH2-O 3.35Å
197	G	42.7	Very low	36.8	Very low	17 Å²	17	118.9 Å²	118.9	18%	0.175	59%	0.59	C	S	.	*			trans	145.4	73.2	-178.4	0	0	0	0	0	113.6	D87 R169 H195	D87-G197 PolarHBondContact OD1-N 3.31Å; D87-G197 WeakPolarHBondContact OD2-CA 3.44Å; D87-G197 PolarHBondContact OD2-N 3.14Å; D87-G197 VanDerWaalsContact OD2-N 3.16Å; R169-G197 PolarHBondContact NH1-O 2.86Å; R169-G197 VanDerWaalsContact NH2-CA 3.32Å; H195-G197 PolarHBondContact O-N 3.24Å
198	H	41.3	Very low	37	Very low	160 Å²	160	117.4 Å²	117.4	74%	0.741	57%	0.565	S	S	*	*			trans	-147.8	85.2	153.3	-126.1	-75.3	0	0	0	107.7	D87	D87-H198 PolarHBondContact OD2-N 3.35Å
199	S	31.4	Very low	37.4	Very low	53 Å²	53	112.8 Å²	112.8	37%	0.371	55%	0.545	S	S	.	.			trans	-144.1	119.1	156.7	44.3	0	0	0	0	108.4	W201	S199-W201 PolarHBondContact O-N 3.06Å
200	E	26.6	Very low	37.8	Very low	184 Å²	184	108.6 Å²	108.6	86%	0.86	53%	0.527	S	S	*	.			trans	-64.1	120.9	167.3	-67.5	174	111.5	0	0	107.8
201	W	37.5	Very low	38	Very low	275 Å²	275	111.8 Å²	111.8	100%	1.042	53%	0.532	S	S	*	.			trans	-126.9	0	150.8	-64.8	104.1	0	0	0	106.4	S162 S199	S162-W201 PolarHBondContact OG-O 2.93Å; S199-W201 PolarHBondContact O-N 3.06Å

Retrieved 201 of 201 residues in 38.9 ms (Link to these results)

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